data_17719 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17719 _Entry.Title ; Solution structure of esophageal cancer-related gene 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-20 _Entry.Accession_date 2011-06-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yingang Feng . . . 17719 2 Yong Geng . . . 17719 3 Jinfeng Wang . . . 17719 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17719 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'esophageal cancer-related gene 2' . 17719 'Protease Inhibitor' . 17719 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17719 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 17719 '15N chemical shifts' 64 17719 '1H chemical shifts' 446 17719 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-20 2011-06-20 update BMRB 'update entry citation' 17719 1 . . 2012-05-09 2011-06-20 original author 'original release' 17719 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LEO 'BMRB Entry Tracking System' 17719 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17719 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22528291 _Citation.Full_citation . _Citation.Title 'NMR structure note: human esophageal cancer-related gene 2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 53 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 65 _Citation.Page_last 70 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yingang Feng . . . 17719 1 2 Yong Geng . . . 17719 1 3 Tao Zhou . . . 17719 1 4 Jinfeng Wang . . . 17719 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17719 _Assembly.ID 1 _Assembly.Name 'esophageal cancer-related gene 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'esophageal cancer-related gene 2' 1 $EC-RG2 A . yes native no no . . . 17719 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 EC-RG2 1 CYS 13 13 SG . 1 EC-RG2 1 CYS 48 48 SG 1 EC-RG2 32 CYS SG 1 EC-RG2 67 CYS SG 17719 1 2 disulfide single . 1 EC-RG2 1 CYS 26 26 SG . 1 EC-RG2 1 CYS 45 45 SG 1 EC-RG2 45 CYS SG 1 EC-RG2 64 CYS SG 17719 1 3 disulfide single . 1 EC-RG2 1 CYS 34 34 SG . 1 EC-RG2 1 CYS 66 66 SG 1 EC-RG2 53 CYS SG 1 EC-RG2 85 CYS SG 17719 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EC-RG2 _Entity.Sf_category entity _Entity.Sf_framecode EC-RG2 _Entity.Entry_ID 17719 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'esophageal cancer-related gene 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEAASLSPKKVDCSIYKKYP VVAIPCPITYLPVCGSDYIT YGNECHLCTESLKSNGRVQF LHDGSC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7209.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LEO . "Solution Structure Of Esophageal Cancer-Related Gene 2" . . . . . 100.00 66 100.00 100.00 2.73e-39 . . . . 17719 1 2 no GB AAI09386 . "Esophagus cancer-related gene-2 [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 3 no GB AAI10068 . "Serine peptidase inhibitor, Kazal type 7 (putative) [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 4 no GB AAK27795 . "esophagus cancer-related gene-2 [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 5 no GB AAQ89431 . "ECG2 [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 6 no GB AIC52595 . "SPINK7, partial [synthetic construct]" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 7 no REF NP_115955 . "serine protease inhibitor Kazal-type 7 precursor [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 8 no REF XP_001103960 . "PREDICTED: serine protease inhibitor Kazal-type 7 isoform 2 [Macaca mulatta]" . . . . . 100.00 85 98.48 98.48 2.29e-38 . . . . 17719 1 9 no REF XP_001160972 . "PREDICTED: serine protease inhibitor Kazal-type 7 [Pan troglodytes]" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 10 no REF XP_002816126 . "PREDICTED: serine protease inhibitor Kazal-type 7 [Pongo abelii]" . . . . . 100.00 139 100.00 100.00 1.37e-39 . . . . 17719 1 11 no REF XP_003266657 . "PREDICTED: serine protease inhibitor Kazal-type 7 [Nomascus leucogenys]" . . . . . 100.00 85 98.48 100.00 5.71e-39 . . . . 17719 1 12 no SP P58062 . "RecName: Full=Serine protease inhibitor Kazal-type 7; AltName: Full=Esophagus cancer-related gene 2 protein; Short=ECRG-2; Flag" . . . . . 100.00 85 100.00 100.00 2.12e-39 . . . . 17719 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 20 SER . 17719 1 2 21 GLU . 17719 1 3 22 ALA . 17719 1 4 23 ALA . 17719 1 5 24 SER . 17719 1 6 25 LEU . 17719 1 7 26 SER . 17719 1 8 27 PRO . 17719 1 9 28 LYS . 17719 1 10 29 LYS . 17719 1 11 30 VAL . 17719 1 12 31 ASP . 17719 1 13 32 CYS . 17719 1 14 33 SER . 17719 1 15 34 ILE . 17719 1 16 35 TYR . 17719 1 17 36 LYS . 17719 1 18 37 LYS . 17719 1 19 38 TYR . 17719 1 20 39 PRO . 17719 1 21 40 VAL . 17719 1 22 41 VAL . 17719 1 23 42 ALA . 17719 1 24 43 ILE . 17719 1 25 44 PRO . 17719 1 26 45 CYS . 17719 1 27 46 PRO . 17719 1 28 47 ILE . 17719 1 29 48 THR . 17719 1 30 49 TYR . 17719 1 31 50 LEU . 17719 1 32 51 PRO . 17719 1 33 52 VAL . 17719 1 34 53 CYS . 17719 1 35 54 GLY . 17719 1 36 55 SER . 17719 1 37 56 ASP . 17719 1 38 57 TYR . 17719 1 39 58 ILE . 17719 1 40 59 THR . 17719 1 41 60 TYR . 17719 1 42 61 GLY . 17719 1 43 62 ASN . 17719 1 44 63 GLU . 17719 1 45 64 CYS . 17719 1 46 65 HIS . 17719 1 47 66 LEU . 17719 1 48 67 CYS . 17719 1 49 68 THR . 17719 1 50 69 GLU . 17719 1 51 70 SER . 17719 1 52 71 LEU . 17719 1 53 72 LYS . 17719 1 54 73 SER . 17719 1 55 74 ASN . 17719 1 56 75 GLY . 17719 1 57 76 ARG . 17719 1 58 77 VAL . 17719 1 59 78 GLN . 17719 1 60 79 PHE . 17719 1 61 80 LEU . 17719 1 62 81 HIS . 17719 1 63 82 ASP . 17719 1 64 83 GLY . 17719 1 65 84 SER . 17719 1 66 85 CYS . 17719 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 17719 1 . GLU 2 2 17719 1 . ALA 3 3 17719 1 . ALA 4 4 17719 1 . SER 5 5 17719 1 . LEU 6 6 17719 1 . SER 7 7 17719 1 . PRO 8 8 17719 1 . LYS 9 9 17719 1 . LYS 10 10 17719 1 . VAL 11 11 17719 1 . ASP 12 12 17719 1 . CYS 13 13 17719 1 . SER 14 14 17719 1 . ILE 15 15 17719 1 . TYR 16 16 17719 1 . LYS 17 17 17719 1 . LYS 18 18 17719 1 . TYR 19 19 17719 1 . PRO 20 20 17719 1 . VAL 21 21 17719 1 . VAL 22 22 17719 1 . ALA 23 23 17719 1 . ILE 24 24 17719 1 . PRO 25 25 17719 1 . CYS 26 26 17719 1 . PRO 27 27 17719 1 . ILE 28 28 17719 1 . THR 29 29 17719 1 . TYR 30 30 17719 1 . LEU 31 31 17719 1 . PRO 32 32 17719 1 . VAL 33 33 17719 1 . CYS 34 34 17719 1 . GLY 35 35 17719 1 . SER 36 36 17719 1 . ASP 37 37 17719 1 . TYR 38 38 17719 1 . ILE 39 39 17719 1 . THR 40 40 17719 1 . TYR 41 41 17719 1 . GLY 42 42 17719 1 . ASN 43 43 17719 1 . GLU 44 44 17719 1 . CYS 45 45 17719 1 . HIS 46 46 17719 1 . LEU 47 47 17719 1 . CYS 48 48 17719 1 . THR 49 49 17719 1 . GLU 50 50 17719 1 . SER 51 51 17719 1 . LEU 52 52 17719 1 . LYS 53 53 17719 1 . SER 54 54 17719 1 . ASN 55 55 17719 1 . GLY 56 56 17719 1 . ARG 57 57 17719 1 . VAL 58 58 17719 1 . GLN 59 59 17719 1 . PHE 60 60 17719 1 . LEU 61 61 17719 1 . HIS 62 62 17719 1 . ASP 63 63 17719 1 . GLY 64 64 17719 1 . SER 65 65 17719 1 . CYS 66 66 17719 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17719 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EC-RG2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17719 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17719 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EC-RG2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32a . . . . . . 17719 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17719 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' [U-2H] . . . . . . 50 . . mM . . . . 17719 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17719 1 3 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17719 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17719 1 5 EC-RG2 '[U-13C; U-15N]' . . 1 $EC-RG2 . . . 0.5 1.0 mM . . . . 17719 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17719 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17719 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17719 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17719 1 pH 5.0 . pH 17719 1 pressure 1 . atm 17719 1 temperature 293 . K 17719 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17719 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17719 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17719 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17719 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17719 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17719 2 'data analysis' 17719 2 refinement 17719 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17719 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17719 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17719 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17719 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17719 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 17719 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17719 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17719 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17719 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17719 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17719 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17719 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17719 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17719 1 2 '2D 1H-13C HSQC' . . . 17719 1 3 '3D CBCA(CO)NH' . . . 17719 1 4 '3D HNCACB' . . . 17719 1 5 '3D HNCO' . . . 17719 1 6 '3D HN(CA)CO' . . . 17719 1 7 '3D HBHA(CO)NH' . . . 17719 1 8 '3D HCCH-TOCSY' . . . 17719 1 9 '3D CCH-TOCSY' . . . 17719 1 10 '3D 1H-15N TOCSY' . . . 17719 1 12 '3D 1H-13C NOESY' . . . 17719 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.18 0.02 . 1 . . . A 20 SER HA . 17719 1 2 . 1 1 1 1 SER HB2 H 1 3.98 0.02 . 1 . . . A 20 SER HB2 . 17719 1 3 . 1 1 1 1 SER HB3 H 1 3.98 0.02 . 1 . . . A 20 SER HB3 . 17719 1 4 . 1 1 1 1 SER C C 13 170.7 0.3 . 1 . . . A 20 SER C . 17719 1 5 . 1 1 1 1 SER CA C 13 57.3 0.3 . 1 . . . A 20 SER CA . 17719 1 6 . 1 1 1 1 SER CB C 13 63.1 0.3 . 1 . . . A 20 SER CB . 17719 1 7 . 1 1 2 2 GLU H H 1 8.86 0.02 . 1 . . . A 21 GLU H . 17719 1 8 . 1 1 2 2 GLU HA H 1 4.39 0.02 . 1 . . . A 21 GLU HA . 17719 1 9 . 1 1 2 2 GLU HB2 H 1 2.1 0.02 . 2 . . . A 21 GLU HB2 . 17719 1 10 . 1 1 2 2 GLU HB3 H 1 1.96 0.02 . 2 . . . A 21 GLU HB3 . 17719 1 11 . 1 1 2 2 GLU HG2 H 1 2.33 0.02 . 1 . . . A 21 GLU HG2 . 17719 1 12 . 1 1 2 2 GLU HG3 H 1 2.33 0.02 . 1 . . . A 21 GLU HG3 . 17719 1 13 . 1 1 2 2 GLU C C 13 176.1 0.3 . 1 . . . A 21 GLU C . 17719 1 14 . 1 1 2 2 GLU CA C 13 56.2 0.3 . 1 . . . A 21 GLU CA . 17719 1 15 . 1 1 2 2 GLU CB C 13 30.3 0.3 . 1 . . . A 21 GLU CB . 17719 1 16 . 1 1 2 2 GLU CG C 13 35.7 0.3 . 1 . . . A 21 GLU CG . 17719 1 17 . 1 1 2 2 GLU N N 15 121.8 0.3 . 1 . . . A 21 GLU N . 17719 1 18 . 1 1 3 3 ALA H H 1 8.55 0.02 . 1 . . . A 22 ALA H . 17719 1 19 . 1 1 3 3 ALA HA H 1 4.27 0.02 . 1 . . . A 22 ALA HA . 17719 1 20 . 1 1 3 3 ALA HB1 H 1 1.39 0.02 . 1 . . . A 22 ALA HB1 . 17719 1 21 . 1 1 3 3 ALA HB2 H 1 1.39 0.02 . 1 . . . A 22 ALA HB2 . 17719 1 22 . 1 1 3 3 ALA HB3 H 1 1.39 0.02 . 1 . . . A 22 ALA HB3 . 17719 1 23 . 1 1 3 3 ALA C C 13 177.7 0.3 . 1 . . . A 22 ALA C . 17719 1 24 . 1 1 3 3 ALA CA C 13 52.6 0.3 . 1 . . . A 22 ALA CA . 17719 1 25 . 1 1 3 3 ALA CB C 13 19.1 0.3 . 1 . . . A 22 ALA CB . 17719 1 26 . 1 1 3 3 ALA N N 15 126 0.3 . 1 . . . A 22 ALA N . 17719 1 27 . 1 1 4 4 ALA H H 1 8.4 0.02 . 1 . . . A 23 ALA H . 17719 1 28 . 1 1 4 4 ALA HA H 1 4.31 0.02 . 1 . . . A 23 ALA HA . 17719 1 29 . 1 1 4 4 ALA HB1 H 1 1.4 0.02 . 1 . . . A 23 ALA HB1 . 17719 1 30 . 1 1 4 4 ALA HB2 H 1 1.4 0.02 . 1 . . . A 23 ALA HB2 . 17719 1 31 . 1 1 4 4 ALA HB3 H 1 1.4 0.02 . 1 . . . A 23 ALA HB3 . 17719 1 32 . 1 1 4 4 ALA C C 13 177.9 0.3 . 1 . . . A 23 ALA C . 17719 1 33 . 1 1 4 4 ALA CA C 13 52.6 0.3 . 1 . . . A 23 ALA CA . 17719 1 34 . 1 1 4 4 ALA CB C 13 19.1 0.3 . 1 . . . A 23 ALA CB . 17719 1 35 . 1 1 4 4 ALA N N 15 123.6 0.3 . 1 . . . A 23 ALA N . 17719 1 36 . 1 1 5 5 SER H H 1 8.3 0.02 . 1 . . . A 24 SER H . 17719 1 37 . 1 1 5 5 SER HA H 1 4.44 0.02 . 1 . . . A 24 SER HA . 17719 1 38 . 1 1 5 5 SER HB2 H 1 3.87 0.02 . 1 . . . A 24 SER HB2 . 17719 1 39 . 1 1 5 5 SER HB3 H 1 3.87 0.02 . 1 . . . A 24 SER HB3 . 17719 1 40 . 1 1 5 5 SER C C 13 174.5 0.3 . 1 . . . A 24 SER C . 17719 1 41 . 1 1 5 5 SER CA C 13 58.2 0.3 . 1 . . . A 24 SER CA . 17719 1 42 . 1 1 5 5 SER CB C 13 63.8 0.3 . 1 . . . A 24 SER CB . 17719 1 43 . 1 1 5 5 SER N N 15 115.1 0.3 . 1 . . . A 24 SER N . 17719 1 44 . 1 1 6 6 LEU H H 1 8.32 0.02 . 1 . . . A 25 LEU H . 17719 1 45 . 1 1 6 6 LEU HA H 1 4.43 0.02 . 1 . . . A 25 LEU HA . 17719 1 46 . 1 1 6 6 LEU HB2 H 1 1.64 0.02 . 1 . . . A 25 LEU HB2 . 17719 1 47 . 1 1 6 6 LEU HB3 H 1 1.64 0.02 . 1 . . . A 25 LEU HB3 . 17719 1 48 . 1 1 6 6 LEU HG H 1 1.64 0.02 . 1 . . . A 25 LEU HG . 17719 1 49 . 1 1 6 6 LEU HD11 H 1 0.93 0.02 . 2 . . . A 25 LEU HD11 . 17719 1 50 . 1 1 6 6 LEU HD12 H 1 0.93 0.02 . 2 . . . A 25 LEU HD12 . 17719 1 51 . 1 1 6 6 LEU HD13 H 1 0.93 0.02 . 2 . . . A 25 LEU HD13 . 17719 1 52 . 1 1 6 6 LEU HD21 H 1 0.87 0.02 . 2 . . . A 25 LEU HD21 . 17719 1 53 . 1 1 6 6 LEU HD22 H 1 0.87 0.02 . 2 . . . A 25 LEU HD22 . 17719 1 54 . 1 1 6 6 LEU HD23 H 1 0.87 0.02 . 2 . . . A 25 LEU HD23 . 17719 1 55 . 1 1 6 6 LEU C C 13 177.3 0.3 . 1 . . . A 25 LEU C . 17719 1 56 . 1 1 6 6 LEU CA C 13 55.1 0.3 . 1 . . . A 25 LEU CA . 17719 1 57 . 1 1 6 6 LEU CB C 13 42.4 0.3 . 1 . . . A 25 LEU CB . 17719 1 58 . 1 1 6 6 LEU CG C 13 27 0.3 . 1 . . . A 25 LEU CG . 17719 1 59 . 1 1 6 6 LEU CD1 C 13 24.9 0.3 . 2 . . . A 25 LEU CD1 . 17719 1 60 . 1 1 6 6 LEU CD2 C 13 23.3 0.3 . 2 . . . A 25 LEU CD2 . 17719 1 61 . 1 1 6 6 LEU N N 15 124.2 0.3 . 1 . . . A 25 LEU N . 17719 1 62 . 1 1 7 7 SER H H 1 8.33 0.02 . 1 . . . A 26 SER H . 17719 1 63 . 1 1 7 7 SER HA H 1 4.78 0.02 . 1 . . . A 26 SER HA . 17719 1 64 . 1 1 7 7 SER HB2 H 1 3.85 0.02 . 1 . . . A 26 SER HB2 . 17719 1 65 . 1 1 7 7 SER HB3 H 1 3.85 0.02 . 1 . . . A 26 SER HB3 . 17719 1 66 . 1 1 7 7 SER C C 13 172.5 0.3 . 1 . . . A 26 SER C . 17719 1 67 . 1 1 7 7 SER CA C 13 56.4 0.3 . 1 . . . A 26 SER CA . 17719 1 68 . 1 1 7 7 SER CB C 13 63.3 0.3 . 1 . . . A 26 SER CB . 17719 1 69 . 1 1 7 7 SER N N 15 118.1 0.3 . 1 . . . A 26 SER N . 17719 1 70 . 1 1 8 8 PRO HA H 1 4.47 0.02 . 1 . . . A 27 PRO HA . 17719 1 71 . 1 1 8 8 PRO HB2 H 1 1.95 0.02 . 2 . . . A 27 PRO HB2 . 17719 1 72 . 1 1 8 8 PRO HB3 H 1 2.35 0.02 . 2 . . . A 27 PRO HB3 . 17719 1 73 . 1 1 8 8 PRO HG2 H 1 2.04 0.02 . 1 . . . A 27 PRO HG2 . 17719 1 74 . 1 1 8 8 PRO HG3 H 1 2.05 0.02 . 1 . . . A 27 PRO HG3 . 17719 1 75 . 1 1 8 8 PRO HD2 H 1 3.74 0.02 . 2 . . . A 27 PRO HD2 . 17719 1 76 . 1 1 8 8 PRO HD3 H 1 3.82 0.02 . 2 . . . A 27 PRO HD3 . 17719 1 77 . 1 1 8 8 PRO C C 13 176.6 0.3 . 1 . . . A 27 PRO C . 17719 1 78 . 1 1 8 8 PRO CA C 13 63 0.3 . 1 . . . A 27 PRO CA . 17719 1 79 . 1 1 8 8 PRO CB C 13 32.4 0.3 . 1 . . . A 27 PRO CB . 17719 1 80 . 1 1 8 8 PRO CG C 13 27.3 0.3 . 1 . . . A 27 PRO CG . 17719 1 81 . 1 1 8 8 PRO CD C 13 50.8 0.3 . 1 . . . A 27 PRO CD . 17719 1 82 . 1 1 9 9 LYS H H 1 8.41 0.02 . 1 . . . A 28 LYS H . 17719 1 83 . 1 1 9 9 LYS HA H 1 4.22 0.02 . 1 . . . A 28 LYS HA . 17719 1 84 . 1 1 9 9 LYS HB2 H 1 1.75 0.02 . 1 . . . A 28 LYS HB2 . 17719 1 85 . 1 1 9 9 LYS HB3 H 1 1.75 0.02 . 1 . . . A 28 LYS HB3 . 17719 1 86 . 1 1 9 9 LYS HG2 H 1 1.32 0.02 . 2 . . . A 28 LYS HG2 . 17719 1 87 . 1 1 9 9 LYS HG3 H 1 1.16 0.02 . 2 . . . A 28 LYS HG3 . 17719 1 88 . 1 1 9 9 LYS HD2 H 1 1.61 0.02 . 1 . . . A 28 LYS HD2 . 17719 1 89 . 1 1 9 9 LYS HD3 H 1 1.61 0.02 . 1 . . . A 28 LYS HD3 . 17719 1 90 . 1 1 9 9 LYS HE2 H 1 2.73 0.02 . 2 . . . A 28 LYS HE2 . 17719 1 91 . 1 1 9 9 LYS HE3 H 1 2.79 0.02 . 2 . . . A 28 LYS HE3 . 17719 1 92 . 1 1 9 9 LYS C C 13 175.6 0.3 . 1 . . . A 28 LYS C . 17719 1 93 . 1 1 9 9 LYS CA C 13 56.5 0.3 . 1 . . . A 28 LYS CA . 17719 1 94 . 1 1 9 9 LYS CB C 13 33.1 0.3 . 1 . . . A 28 LYS CB . 17719 1 95 . 1 1 9 9 LYS CG C 13 24.8 0.3 . 1 . . . A 28 LYS CG . 17719 1 96 . 1 1 9 9 LYS CD C 13 29.2 0.3 . 1 . . . A 28 LYS CD . 17719 1 97 . 1 1 9 9 LYS CE C 13 42.1 0.3 . 1 . . . A 28 LYS CE . 17719 1 98 . 1 1 9 9 LYS N N 15 122.6 0.3 . 1 . . . A 28 LYS N . 17719 1 99 . 1 1 10 10 LYS H H 1 8.29 0.02 . 1 . . . A 29 LYS H . 17719 1 100 . 1 1 10 10 LYS HA H 1 4.32 0.02 . 1 . . . A 29 LYS HA . 17719 1 101 . 1 1 10 10 LYS HB2 H 1 1.64 0.02 . 2 . . . A 29 LYS HB2 . 17719 1 102 . 1 1 10 10 LYS HB3 H 1 1.68 0.02 . 2 . . . A 29 LYS HB3 . 17719 1 103 . 1 1 10 10 LYS HG2 H 1 1.33 0.02 . 2 . . . A 29 LYS HG2 . 17719 1 104 . 1 1 10 10 LYS HG3 H 1 1.38 0.02 . 2 . . . A 29 LYS HG3 . 17719 1 105 . 1 1 10 10 LYS HD2 H 1 1.66 0.02 . 1 . . . A 29 LYS HD2 . 17719 1 106 . 1 1 10 10 LYS HD3 H 1 1.66 0.02 . 1 . . . A 29 LYS HD3 . 17719 1 107 . 1 1 10 10 LYS HE2 H 1 2.98 0.02 . 1 . . . A 29 LYS HE2 . 17719 1 108 . 1 1 10 10 LYS HE3 H 1 2.98 0.02 . 1 . . . A 29 LYS HE3 . 17719 1 109 . 1 1 10 10 LYS C C 13 175.8 0.3 . 1 . . . A 29 LYS C . 17719 1 110 . 1 1 10 10 LYS CA C 13 55.3 0.3 . 1 . . . A 29 LYS CA . 17719 1 111 . 1 1 10 10 LYS CB C 13 33.9 0.3 . 1 . . . A 29 LYS CB . 17719 1 112 . 1 1 10 10 LYS CG C 13 24.7 0.3 . 1 . . . A 29 LYS CG . 17719 1 113 . 1 1 10 10 LYS CD C 13 29 0.3 . 1 . . . A 29 LYS CD . 17719 1 114 . 1 1 10 10 LYS CE C 13 42.2 0.3 . 1 . . . A 29 LYS CE . 17719 1 115 . 1 1 10 10 LYS N N 15 123.7 0.3 . 1 . . . A 29 LYS N . 17719 1 116 . 1 1 11 11 VAL H H 1 8.01 0.02 . 1 . . . A 30 VAL H . 17719 1 117 . 1 1 11 11 VAL HA H 1 3.83 0.02 . 1 . . . A 30 VAL HA . 17719 1 118 . 1 1 11 11 VAL HB H 1 1.48 0.02 . 1 . . . A 30 VAL HB . 17719 1 119 . 1 1 11 11 VAL HG11 H 1 0.27 0.02 . 2 . . . A 30 VAL HG11 . 17719 1 120 . 1 1 11 11 VAL HG12 H 1 0.27 0.02 . 2 . . . A 30 VAL HG12 . 17719 1 121 . 1 1 11 11 VAL HG13 H 1 0.27 0.02 . 2 . . . A 30 VAL HG13 . 17719 1 122 . 1 1 11 11 VAL HG21 H 1 0.66 0.02 . 2 . . . A 30 VAL HG21 . 17719 1 123 . 1 1 11 11 VAL HG22 H 1 0.66 0.02 . 2 . . . A 30 VAL HG22 . 17719 1 124 . 1 1 11 11 VAL HG23 H 1 0.66 0.02 . 2 . . . A 30 VAL HG23 . 17719 1 125 . 1 1 11 11 VAL C C 13 174.4 0.3 . 1 . . . A 30 VAL C . 17719 1 126 . 1 1 11 11 VAL CA C 13 62.2 0.3 . 1 . . . A 30 VAL CA . 17719 1 127 . 1 1 11 11 VAL CB C 13 33.4 0.3 . 1 . . . A 30 VAL CB . 17719 1 128 . 1 1 11 11 VAL CG1 C 13 21 0.3 . 2 . . . A 30 VAL CG1 . 17719 1 129 . 1 1 11 11 VAL CG2 C 13 21 0.3 . 2 . . . A 30 VAL CG2 . 17719 1 130 . 1 1 11 11 VAL N N 15 122.8 0.3 . 1 . . . A 30 VAL N . 17719 1 131 . 1 1 12 12 ASP H H 1 8.58 0.02 . 1 . . . A 31 ASP H . 17719 1 132 . 1 1 12 12 ASP HA H 1 4.82 0.02 . 1 . . . A 31 ASP HA . 17719 1 133 . 1 1 12 12 ASP HB2 H 1 2.87 0.02 . 2 . . . A 31 ASP HB2 . 17719 1 134 . 1 1 12 12 ASP HB3 H 1 2.55 0.02 . 2 . . . A 31 ASP HB3 . 17719 1 135 . 1 1 12 12 ASP C C 13 176.8 0.3 . 1 . . . A 31 ASP C . 17719 1 136 . 1 1 12 12 ASP CA C 13 52.2 0.3 . 1 . . . A 31 ASP CA . 17719 1 137 . 1 1 12 12 ASP CB C 13 41 0.3 . 1 . . . A 31 ASP CB . 17719 1 138 . 1 1 12 12 ASP N N 15 126.2 0.3 . 1 . . . A 31 ASP N . 17719 1 139 . 1 1 13 13 CYS H H 1 9.07 0.02 . 1 . . . A 32 CYS H . 17719 1 140 . 1 1 13 13 CYS HA H 1 5.05 0.02 . 1 . . . A 32 CYS HA . 17719 1 141 . 1 1 13 13 CYS HB2 H 1 2.95 0.02 . 2 . . . A 32 CYS HB2 . 17719 1 142 . 1 1 13 13 CYS HB3 H 1 3.34 0.02 . 2 . . . A 32 CYS HB3 . 17719 1 143 . 1 1 13 13 CYS C C 13 176.8 0.3 . 1 . . . A 32 CYS C . 17719 1 144 . 1 1 13 13 CYS CA C 13 53.4 0.3 . 1 . . . A 32 CYS CA . 17719 1 145 . 1 1 13 13 CYS CB C 13 33.4 0.3 . 1 . . . A 32 CYS CB . 17719 1 146 . 1 1 13 13 CYS N N 15 121.6 0.3 . 1 . . . A 32 CYS N . 17719 1 147 . 1 1 14 14 SER H H 1 8.76 0.02 . 1 . . . A 33 SER H . 17719 1 148 . 1 1 14 14 SER HA H 1 4.03 0.02 . 1 . . . A 33 SER HA . 17719 1 149 . 1 1 14 14 SER HB2 H 1 3.94 0.02 . 1 . . . A 33 SER HB2 . 17719 1 150 . 1 1 14 14 SER HB3 H 1 3.94 0.02 . 1 . . . A 33 SER HB3 . 17719 1 151 . 1 1 14 14 SER C C 13 177.1 0.3 . 1 . . . A 33 SER C . 17719 1 152 . 1 1 14 14 SER CA C 13 62.4 0.3 . 1 . . . A 33 SER CA . 17719 1 153 . 1 1 14 14 SER CB C 13 62.6 0.3 . 1 . . . A 33 SER CB . 17719 1 154 . 1 1 14 14 SER N N 15 118 0.3 . 1 . . . A 33 SER N . 17719 1 155 . 1 1 15 15 ILE H H 1 7.2 0.02 . 1 . . . A 34 ILE H . 17719 1 156 . 1 1 15 15 ILE HA H 1 3.99 0.02 . 1 . . . A 34 ILE HA . 17719 1 157 . 1 1 15 15 ILE HB H 1 1.68 0.02 . 1 . . . A 34 ILE HB . 17719 1 158 . 1 1 15 15 ILE HG12 H 1 0.38 0.02 . 2 . . . A 34 ILE HG12 . 17719 1 159 . 1 1 15 15 ILE HG13 H 1 0.92 0.02 . 2 . . . A 34 ILE HG13 . 17719 1 160 . 1 1 15 15 ILE HG21 H 1 0.62 0.02 . 1 . . . A 34 ILE HG21 . 17719 1 161 . 1 1 15 15 ILE HG22 H 1 0.62 0.02 . 1 . . . A 34 ILE HG22 . 17719 1 162 . 1 1 15 15 ILE HG23 H 1 0.62 0.02 . 1 . . . A 34 ILE HG23 . 17719 1 163 . 1 1 15 15 ILE HD11 H 1 0.63 0.02 . 1 . . . A 34 ILE HD11 . 17719 1 164 . 1 1 15 15 ILE HD12 H 1 0.63 0.02 . 1 . . . A 34 ILE HD12 . 17719 1 165 . 1 1 15 15 ILE HD13 H 1 0.63 0.02 . 1 . . . A 34 ILE HD13 . 17719 1 166 . 1 1 15 15 ILE C C 13 176.6 0.3 . 1 . . . A 34 ILE C . 17719 1 167 . 1 1 15 15 ILE CA C 13 63.5 0.3 . 1 . . . A 34 ILE CA . 17719 1 168 . 1 1 15 15 ILE CB C 13 37.4 0.3 . 1 . . . A 34 ILE CB . 17719 1 169 . 1 1 15 15 ILE CG1 C 13 26.3 0.3 . 1 . . . A 34 ILE CG1 . 17719 1 170 . 1 1 15 15 ILE CG2 C 13 17 0.3 . 1 . . . A 34 ILE CG2 . 17719 1 171 . 1 1 15 15 ILE CD1 C 13 13.8 0.3 . 1 . . . A 34 ILE CD1 . 17719 1 172 . 1 1 15 15 ILE N N 15 117.7 0.3 . 1 . . . A 34 ILE N . 17719 1 173 . 1 1 16 16 TYR H H 1 7.47 0.02 . 1 . . . A 35 TYR H . 17719 1 174 . 1 1 16 16 TYR HA H 1 4.61 0.02 . 1 . . . A 35 TYR HA . 17719 1 175 . 1 1 16 16 TYR HB2 H 1 2.73 0.02 . 2 . . . A 35 TYR HB2 . 17719 1 176 . 1 1 16 16 TYR HB3 H 1 3.39 0.02 . 2 . . . A 35 TYR HB3 . 17719 1 177 . 1 1 16 16 TYR HD1 H 1 7.01 0.02 . 1 . . . A 35 TYR HD1 . 17719 1 178 . 1 1 16 16 TYR HD2 H 1 7.01 0.02 . 1 . . . A 35 TYR HD2 . 17719 1 179 . 1 1 16 16 TYR HE1 H 1 6.79 0.02 . 1 . . . A 35 TYR HE1 . 17719 1 180 . 1 1 16 16 TYR HE2 H 1 6.79 0.02 . 1 . . . A 35 TYR HE2 . 17719 1 181 . 1 1 16 16 TYR C C 13 176.3 0.3 . 1 . . . A 35 TYR C . 17719 1 182 . 1 1 16 16 TYR CA C 13 58.8 0.3 . 1 . . . A 35 TYR CA . 17719 1 183 . 1 1 16 16 TYR CB C 13 37.6 0.3 . 1 . . . A 35 TYR CB . 17719 1 184 . 1 1 16 16 TYR CD1 C 13 133.2 0.3 . 1 . . . A 35 TYR CD1 . 17719 1 185 . 1 1 16 16 TYR CD2 C 13 133.2 0.3 . 1 . . . A 35 TYR CD2 . 17719 1 186 . 1 1 16 16 TYR CE1 C 13 118.1 0.3 . 1 . . . A 35 TYR CE1 . 17719 1 187 . 1 1 16 16 TYR CE2 C 13 118.1 0.3 . 1 . . . A 35 TYR CE2 . 17719 1 188 . 1 1 16 16 TYR N N 15 118 0.3 . 1 . . . A 35 TYR N . 17719 1 189 . 1 1 17 17 LYS H H 1 7.59 0.02 . 1 . . . A 36 LYS H . 17719 1 190 . 1 1 17 17 LYS HA H 1 4.23 0.02 . 1 . . . A 36 LYS HA . 17719 1 191 . 1 1 17 17 LYS HB2 H 1 1.85 0.02 . 2 . . . A 36 LYS HB2 . 17719 1 192 . 1 1 17 17 LYS HB3 H 1 1.99 0.02 . 2 . . . A 36 LYS HB3 . 17719 1 193 . 1 1 17 17 LYS HG2 H 1 1.55 0.02 . 2 . . . A 36 LYS HG2 . 17719 1 194 . 1 1 17 17 LYS HG3 H 1 1.58 0.02 . 2 . . . A 36 LYS HG3 . 17719 1 195 . 1 1 17 17 LYS HD2 H 1 1.73 0.02 . 1 . . . A 36 LYS HD2 . 17719 1 196 . 1 1 17 17 LYS HD3 H 1 1.73 0.02 . 1 . . . A 36 LYS HD3 . 17719 1 197 . 1 1 17 17 LYS HE2 H 1 2.98 0.02 . 1 . . . A 36 LYS HE2 . 17719 1 198 . 1 1 17 17 LYS HE3 H 1 2.98 0.02 . 1 . . . A 36 LYS HE3 . 17719 1 199 . 1 1 17 17 LYS C C 13 176.3 0.3 . 1 . . . A 36 LYS C . 17719 1 200 . 1 1 17 17 LYS CA C 13 58.7 0.3 . 1 . . . A 36 LYS CA . 17719 1 201 . 1 1 17 17 LYS CB C 13 32.3 0.3 . 1 . . . A 36 LYS CB . 17719 1 202 . 1 1 17 17 LYS CG C 13 26.1 0.3 . 1 . . . A 36 LYS CG . 17719 1 203 . 1 1 17 17 LYS CD C 13 29.4 0.3 . 1 . . . A 36 LYS CD . 17719 1 204 . 1 1 17 17 LYS CE C 13 41.9 0.3 . 1 . . . A 36 LYS CE . 17719 1 205 . 1 1 17 17 LYS N N 15 119.2 0.3 . 1 . . . A 36 LYS N . 17719 1 206 . 1 1 18 18 LYS H H 1 7.41 0.02 . 1 . . . A 37 LYS H . 17719 1 207 . 1 1 18 18 LYS HA H 1 4.15 0.02 . 1 . . . A 37 LYS HA . 17719 1 208 . 1 1 18 18 LYS HB2 H 1 1.57 0.02 . 1 . . . A 37 LYS HB2 . 17719 1 209 . 1 1 18 18 LYS HB3 H 1 1.57 0.02 . 1 . . . A 37 LYS HB3 . 17719 1 210 . 1 1 18 18 LYS HG2 H 1 0.53 0.02 . 2 . . . A 37 LYS HG2 . 17719 1 211 . 1 1 18 18 LYS HG3 H 1 1.03 0.02 . 2 . . . A 37 LYS HG3 . 17719 1 212 . 1 1 18 18 LYS HD2 H 1 1.45 0.02 . 1 . . . A 37 LYS HD2 . 17719 1 213 . 1 1 18 18 LYS HD3 H 1 1.45 0.02 . 1 . . . A 37 LYS HD3 . 17719 1 214 . 1 1 18 18 LYS HE2 H 1 2.78 0.02 . 1 . . . A 37 LYS HE2 . 17719 1 215 . 1 1 18 18 LYS HE3 H 1 2.78 0.02 . 1 . . . A 37 LYS HE3 . 17719 1 216 . 1 1 18 18 LYS C C 13 175.5 0.3 . 1 . . . A 37 LYS C . 17719 1 217 . 1 1 18 18 LYS CA C 13 56.7 0.3 . 1 . . . A 37 LYS CA . 17719 1 218 . 1 1 18 18 LYS CB C 13 31.7 0.3 . 1 . . . A 37 LYS CB . 17719 1 219 . 1 1 18 18 LYS CG C 13 23.4 0.3 . 1 . . . A 37 LYS CG . 17719 1 220 . 1 1 18 18 LYS CD C 13 29.2 0.3 . 1 . . . A 37 LYS CD . 17719 1 221 . 1 1 18 18 LYS CE C 13 41.9 0.3 . 1 . . . A 37 LYS CE . 17719 1 222 . 1 1 18 18 LYS N N 15 115.1 0.3 . 1 . . . A 37 LYS N . 17719 1 223 . 1 1 19 19 TYR H H 1 7.39 0.02 . 1 . . . A 38 TYR H . 17719 1 224 . 1 1 19 19 TYR HA H 1 4.81 0.02 . 1 . . . A 38 TYR HA . 17719 1 225 . 1 1 19 19 TYR HB2 H 1 3.14 0.02 . 2 . . . A 38 TYR HB2 . 17719 1 226 . 1 1 19 19 TYR HB3 H 1 2.77 0.02 . 2 . . . A 38 TYR HB3 . 17719 1 227 . 1 1 19 19 TYR HD1 H 1 7.31 0.02 . 1 . . . A 38 TYR HD1 . 17719 1 228 . 1 1 19 19 TYR HD2 H 1 7.31 0.02 . 1 . . . A 38 TYR HD2 . 17719 1 229 . 1 1 19 19 TYR HE1 H 1 6.9 0.02 . 1 . . . A 38 TYR HE1 . 17719 1 230 . 1 1 19 19 TYR HE2 H 1 6.9 0.02 . 1 . . . A 38 TYR HE2 . 17719 1 231 . 1 1 19 19 TYR C C 13 173.6 0.3 . 1 . . . A 38 TYR C . 17719 1 232 . 1 1 19 19 TYR CA C 13 56.5 0.3 . 1 . . . A 38 TYR CA . 17719 1 233 . 1 1 19 19 TYR CB C 13 38.2 0.3 . 1 . . . A 38 TYR CB . 17719 1 234 . 1 1 19 19 TYR CD1 C 13 133.6 0.3 . 1 . . . A 38 TYR CD1 . 17719 1 235 . 1 1 19 19 TYR CD2 C 13 133.6 0.3 . 1 . . . A 38 TYR CD2 . 17719 1 236 . 1 1 19 19 TYR CE1 C 13 118.3 0.3 . 1 . . . A 38 TYR CE1 . 17719 1 237 . 1 1 19 19 TYR CE2 C 13 118.3 0.3 . 1 . . . A 38 TYR CE2 . 17719 1 238 . 1 1 19 19 TYR N N 15 120.2 0.3 . 1 . . . A 38 TYR N . 17719 1 239 . 1 1 20 20 PRO HA H 1 4.58 0.02 . 1 . . . A 39 PRO HA . 17719 1 240 . 1 1 20 20 PRO HB2 H 1 2.41 0.02 . 2 . . . A 39 PRO HB2 . 17719 1 241 . 1 1 20 20 PRO HB3 H 1 1.82 0.02 . 2 . . . A 39 PRO HB3 . 17719 1 242 . 1 1 20 20 PRO HG2 H 1 2.1 0.02 . 2 . . . A 39 PRO HG2 . 17719 1 243 . 1 1 20 20 PRO HG3 H 1 2.17 0.02 . 2 . . . A 39 PRO HG3 . 17719 1 244 . 1 1 20 20 PRO HD2 H 1 3.73 0.02 . 2 . . . A 39 PRO HD2 . 17719 1 245 . 1 1 20 20 PRO HD3 H 1 3.99 0.02 . 2 . . . A 39 PRO HD3 . 17719 1 246 . 1 1 20 20 PRO C C 13 179 0.3 . 1 . . . A 39 PRO C . 17719 1 247 . 1 1 20 20 PRO CA C 13 63.1 0.3 . 1 . . . A 39 PRO CA . 17719 1 248 . 1 1 20 20 PRO CB C 13 31.7 0.3 . 1 . . . A 39 PRO CB . 17719 1 249 . 1 1 20 20 PRO CG C 13 28.1 0.3 . 1 . . . A 39 PRO CG . 17719 1 250 . 1 1 20 20 PRO CD C 13 50.3 0.3 . 1 . . . A 39 PRO CD . 17719 1 251 . 1 1 21 21 VAL H H 1 8.4 0.02 . 1 . . . A 40 VAL H . 17719 1 252 . 1 1 21 21 VAL HA H 1 4.02 0.02 . 1 . . . A 40 VAL HA . 17719 1 253 . 1 1 21 21 VAL HB H 1 2.18 0.02 . 1 . . . A 40 VAL HB . 17719 1 254 . 1 1 21 21 VAL HG11 H 1 1.08 0.02 . 2 . . . A 40 VAL HG11 . 17719 1 255 . 1 1 21 21 VAL HG12 H 1 1.08 0.02 . 2 . . . A 40 VAL HG12 . 17719 1 256 . 1 1 21 21 VAL HG13 H 1 1.08 0.02 . 2 . . . A 40 VAL HG13 . 17719 1 257 . 1 1 21 21 VAL HG21 H 1 1.01 0.02 . 2 . . . A 40 VAL HG21 . 17719 1 258 . 1 1 21 21 VAL HG22 H 1 1.01 0.02 . 2 . . . A 40 VAL HG22 . 17719 1 259 . 1 1 21 21 VAL HG23 H 1 1.01 0.02 . 2 . . . A 40 VAL HG23 . 17719 1 260 . 1 1 21 21 VAL C C 13 176.4 0.3 . 1 . . . A 40 VAL C . 17719 1 261 . 1 1 21 21 VAL CA C 13 64.7 0.3 . 1 . . . A 40 VAL CA . 17719 1 262 . 1 1 21 21 VAL CB C 13 32 0.3 . 1 . . . A 40 VAL CB . 17719 1 263 . 1 1 21 21 VAL CG1 C 13 22.2 0.3 . 2 . . . A 40 VAL CG1 . 17719 1 264 . 1 1 21 21 VAL CG2 C 13 21.1 0.3 . 2 . . . A 40 VAL CG2 . 17719 1 265 . 1 1 21 21 VAL N N 15 123.2 0.3 . 1 . . . A 40 VAL N . 17719 1 266 . 1 1 22 22 VAL H H 1 7.14 0.02 . 1 . . . A 41 VAL H . 17719 1 267 . 1 1 22 22 VAL HA H 1 4.21 0.02 . 1 . . . A 41 VAL HA . 17719 1 268 . 1 1 22 22 VAL HB H 1 2.39 0.02 . 1 . . . A 41 VAL HB . 17719 1 269 . 1 1 22 22 VAL HG11 H 1 0.98 0.02 . 2 . . . A 41 VAL HG11 . 17719 1 270 . 1 1 22 22 VAL HG12 H 1 0.98 0.02 . 2 . . . A 41 VAL HG12 . 17719 1 271 . 1 1 22 22 VAL HG13 H 1 0.98 0.02 . 2 . . . A 41 VAL HG13 . 17719 1 272 . 1 1 22 22 VAL HG21 H 1 0.88 0.02 . 2 . . . A 41 VAL HG21 . 17719 1 273 . 1 1 22 22 VAL HG22 H 1 0.88 0.02 . 2 . . . A 41 VAL HG22 . 17719 1 274 . 1 1 22 22 VAL HG23 H 1 0.88 0.02 . 2 . . . A 41 VAL HG23 . 17719 1 275 . 1 1 22 22 VAL C C 13 175.6 0.3 . 1 . . . A 41 VAL C . 17719 1 276 . 1 1 22 22 VAL CA C 13 61.5 0.3 . 1 . . . A 41 VAL CA . 17719 1 277 . 1 1 22 22 VAL CB C 13 31.8 0.3 . 1 . . . A 41 VAL CB . 17719 1 278 . 1 1 22 22 VAL CG1 C 13 21.3 0.3 . 2 . . . A 41 VAL CG1 . 17719 1 279 . 1 1 22 22 VAL CG2 C 13 18.7 0.3 . 2 . . . A 41 VAL CG2 . 17719 1 280 . 1 1 22 22 VAL N N 15 110.6 0.3 . 1 . . . A 41 VAL N . 17719 1 281 . 1 1 23 23 ALA H H 1 8.28 0.02 . 1 . . . A 42 ALA H . 17719 1 282 . 1 1 23 23 ALA HA H 1 4.49 0.02 . 1 . . . A 42 ALA HA . 17719 1 283 . 1 1 23 23 ALA HB1 H 1 1.26 0.02 . 1 . . . A 42 ALA HB1 . 17719 1 284 . 1 1 23 23 ALA HB2 H 1 1.26 0.02 . 1 . . . A 42 ALA HB2 . 17719 1 285 . 1 1 23 23 ALA HB3 H 1 1.26 0.02 . 1 . . . A 42 ALA HB3 . 17719 1 286 . 1 1 23 23 ALA C C 13 175.7 0.3 . 1 . . . A 42 ALA C . 17719 1 287 . 1 1 23 23 ALA CA C 13 51.4 0.3 . 1 . . . A 42 ALA CA . 17719 1 288 . 1 1 23 23 ALA CB C 13 19.1 0.3 . 1 . . . A 42 ALA CB . 17719 1 289 . 1 1 23 23 ALA N N 15 126.6 0.3 . 1 . . . A 42 ALA N . 17719 1 290 . 1 1 24 24 ILE H H 1 7.97 0.02 . 1 . . . A 43 ILE H . 17719 1 291 . 1 1 24 24 ILE HA H 1 3.84 0.02 . 1 . . . A 43 ILE HA . 17719 1 292 . 1 1 24 24 ILE HB H 1 1.54 0.02 . 1 . . . A 43 ILE HB . 17719 1 293 . 1 1 24 24 ILE HG12 H 1 1.9 0.02 . 2 . . . A 43 ILE HG12 . 17719 1 294 . 1 1 24 24 ILE HG13 H 1 1.01 0.02 . 2 . . . A 43 ILE HG13 . 17719 1 295 . 1 1 24 24 ILE HG21 H 1 0.54 0.02 . 1 . . . A 43 ILE HG21 . 17719 1 296 . 1 1 24 24 ILE HG22 H 1 0.54 0.02 . 1 . . . A 43 ILE HG22 . 17719 1 297 . 1 1 24 24 ILE HG23 H 1 0.54 0.02 . 1 . . . A 43 ILE HG23 . 17719 1 298 . 1 1 24 24 ILE HD11 H 1 0.93 0.02 . 1 . . . A 43 ILE HD11 . 17719 1 299 . 1 1 24 24 ILE HD12 H 1 0.93 0.02 . 1 . . . A 43 ILE HD12 . 17719 1 300 . 1 1 24 24 ILE HD13 H 1 0.93 0.02 . 1 . . . A 43 ILE HD13 . 17719 1 301 . 1 1 24 24 ILE C C 13 174.9 0.3 . 1 . . . A 43 ILE C . 17719 1 302 . 1 1 24 24 ILE CA C 13 59.5 0.3 . 1 . . . A 43 ILE CA . 17719 1 303 . 1 1 24 24 ILE CB C 13 39 0.3 . 1 . . . A 43 ILE CB . 17719 1 304 . 1 1 24 24 ILE CG1 C 13 28.3 0.3 . 1 . . . A 43 ILE CG1 . 17719 1 305 . 1 1 24 24 ILE CG2 C 13 18 0.3 . 1 . . . A 43 ILE CG2 . 17719 1 306 . 1 1 24 24 ILE CD1 C 13 14.5 0.3 . 1 . . . A 43 ILE CD1 . 17719 1 307 . 1 1 24 24 ILE N N 15 123.3 0.3 . 1 . . . A 43 ILE N . 17719 1 308 . 1 1 25 25 PRO HA H 1 4.48 0.02 . 1 . . . A 44 PRO HA . 17719 1 309 . 1 1 25 25 PRO HB2 H 1 1.91 0.02 . 1 . . . A 44 PRO HB2 . 17719 1 310 . 1 1 25 25 PRO HB3 H 1 1.91 0.02 . 1 . . . A 44 PRO HB3 . 17719 1 311 . 1 1 25 25 PRO HG2 H 1 1.88 0.02 . 2 . . . A 44 PRO HG2 . 17719 1 312 . 1 1 25 25 PRO HG3 H 1 1.78 0.02 . 2 . . . A 44 PRO HG3 . 17719 1 313 . 1 1 25 25 PRO HD2 H 1 2.59 0.02 . 2 . . . A 44 PRO HD2 . 17719 1 314 . 1 1 25 25 PRO HD3 H 1 3.36 0.02 . 2 . . . A 44 PRO HD3 . 17719 1 315 . 1 1 25 25 PRO C C 13 175.9 0.3 . 1 . . . A 44 PRO C . 17719 1 316 . 1 1 25 25 PRO CA C 13 61.8 0.3 . 1 . . . A 44 PRO CA . 17719 1 317 . 1 1 25 25 PRO CB C 13 30.4 0.3 . 1 . . . A 44 PRO CB . 17719 1 318 . 1 1 25 25 PRO CG C 13 27.1 0.3 . 1 . . . A 44 PRO CG . 17719 1 319 . 1 1 25 25 PRO CD C 13 49.9 0.3 . 1 . . . A 44 PRO CD . 17719 1 320 . 1 1 26 26 CYS H H 1 8.29 0.02 . 1 . . . A 45 CYS H . 17719 1 321 . 1 1 26 26 CYS HA H 1 5.39 0.02 . 1 . . . A 45 CYS HA . 17719 1 322 . 1 1 26 26 CYS HB2 H 1 2.24 0.02 . 2 . . . A 45 CYS HB2 . 17719 1 323 . 1 1 26 26 CYS HB3 H 1 2.51 0.02 . 2 . . . A 45 CYS HB3 . 17719 1 324 . 1 1 26 26 CYS CA C 13 49.9 0.3 . 1 . . . A 45 CYS CA . 17719 1 325 . 1 1 26 26 CYS CB C 13 35.4 0.3 . 1 . . . A 45 CYS CB . 17719 1 326 . 1 1 26 26 CYS N N 15 120.5 0.3 . 1 . . . A 45 CYS N . 17719 1 327 . 1 1 27 27 PRO HA H 1 4.65 0.02 . 1 . . . A 46 PRO HA . 17719 1 328 . 1 1 27 27 PRO HB2 H 1 2.5 0.02 . 2 . . . A 46 PRO HB2 . 17719 1 329 . 1 1 27 27 PRO HB3 H 1 1.93 0.02 . 2 . . . A 46 PRO HB3 . 17719 1 330 . 1 1 27 27 PRO HG2 H 1 2.08 0.02 . 2 . . . A 46 PRO HG2 . 17719 1 331 . 1 1 27 27 PRO HG3 H 1 2.11 0.02 . 2 . . . A 46 PRO HG3 . 17719 1 332 . 1 1 27 27 PRO HD2 H 1 4 0.02 . 2 . . . A 46 PRO HD2 . 17719 1 333 . 1 1 27 27 PRO HD3 H 1 3.36 0.02 . 2 . . . A 46 PRO HD3 . 17719 1 334 . 1 1 27 27 PRO C C 13 177 0.3 . 1 . . . A 46 PRO C . 17719 1 335 . 1 1 27 27 PRO CA C 13 62.4 0.3 . 1 . . . A 46 PRO CA . 17719 1 336 . 1 1 27 27 PRO CB C 13 32.9 0.3 . 1 . . . A 46 PRO CB . 17719 1 337 . 1 1 27 27 PRO CG C 13 27.4 0.3 . 1 . . . A 46 PRO CG . 17719 1 338 . 1 1 27 27 PRO CD C 13 50.9 0.3 . 1 . . . A 46 PRO CD . 17719 1 339 . 1 1 28 28 ILE H H 1 8.59 0.02 . 1 . . . A 47 ILE H . 17719 1 340 . 1 1 28 28 ILE HA H 1 4.36 0.02 . 1 . . . A 47 ILE HA . 17719 1 341 . 1 1 28 28 ILE HB H 1 2.11 0.02 . 1 . . . A 47 ILE HB . 17719 1 342 . 1 1 28 28 ILE HG12 H 1 1.3 0.02 . 2 . . . A 47 ILE HG12 . 17719 1 343 . 1 1 28 28 ILE HG13 H 1 1.38 0.02 . 2 . . . A 47 ILE HG13 . 17719 1 344 . 1 1 28 28 ILE HG21 H 1 1 0.02 . 1 . . . A 47 ILE HG21 . 17719 1 345 . 1 1 28 28 ILE HG22 H 1 1 0.02 . 1 . . . A 47 ILE HG22 . 17719 1 346 . 1 1 28 28 ILE HG23 H 1 1 0.02 . 1 . . . A 47 ILE HG23 . 17719 1 347 . 1 1 28 28 ILE HD11 H 1 0.91 0.02 . 1 . . . A 47 ILE HD11 . 17719 1 348 . 1 1 28 28 ILE HD12 H 1 0.91 0.02 . 1 . . . A 47 ILE HD12 . 17719 1 349 . 1 1 28 28 ILE HD13 H 1 0.91 0.02 . 1 . . . A 47 ILE HD13 . 17719 1 350 . 1 1 28 28 ILE C C 13 176.2 0.3 . 1 . . . A 47 ILE C . 17719 1 351 . 1 1 28 28 ILE CA C 13 61.3 0.3 . 1 . . . A 47 ILE CA . 17719 1 352 . 1 1 28 28 ILE CB C 13 38 0.3 . 1 . . . A 47 ILE CB . 17719 1 353 . 1 1 28 28 ILE CG1 C 13 27 0.3 . 1 . . . A 47 ILE CG1 . 17719 1 354 . 1 1 28 28 ILE CG2 C 13 18.1 0.3 . 1 . . . A 47 ILE CG2 . 17719 1 355 . 1 1 28 28 ILE CD1 C 13 13.9 0.3 . 1 . . . A 47 ILE CD1 . 17719 1 356 . 1 1 28 28 ILE N N 15 116.6 0.3 . 1 . . . A 47 ILE N . 17719 1 357 . 1 1 29 29 THR H H 1 7.13 0.02 . 1 . . . A 48 THR H . 17719 1 358 . 1 1 29 29 THR HA H 1 3.89 0.02 . 1 . . . A 48 THR HA . 17719 1 359 . 1 1 29 29 THR HB H 1 3.89 0.02 . 1 . . . A 48 THR HB . 17719 1 360 . 1 1 29 29 THR HG21 H 1 1.26 0.02 . 1 . . . A 48 THR HG21 . 17719 1 361 . 1 1 29 29 THR HG22 H 1 1.26 0.02 . 1 . . . A 48 THR HG22 . 17719 1 362 . 1 1 29 29 THR HG23 H 1 1.26 0.02 . 1 . . . A 48 THR HG23 . 17719 1 363 . 1 1 29 29 THR C C 13 173.2 0.3 . 1 . . . A 48 THR C . 17719 1 364 . 1 1 29 29 THR CA C 13 62.6 0.3 . 1 . . . A 48 THR CA . 17719 1 365 . 1 1 29 29 THR CB C 13 70 0.3 . 1 . . . A 48 THR CB . 17719 1 366 . 1 1 29 29 THR CG2 C 13 22.6 0.3 . 1 . . . A 48 THR CG2 . 17719 1 367 . 1 1 29 29 THR N N 15 114.7 0.3 . 1 . . . A 48 THR N . 17719 1 368 . 1 1 30 30 TYR H H 1 9.02 0.02 . 1 . . . A 49 TYR H . 17719 1 369 . 1 1 30 30 TYR HA H 1 4.96 0.02 . 1 . . . A 49 TYR HA . 17719 1 370 . 1 1 30 30 TYR HB2 H 1 2.96 0.02 . 2 . . . A 49 TYR HB2 . 17719 1 371 . 1 1 30 30 TYR HB3 H 1 3.12 0.02 . 2 . . . A 49 TYR HB3 . 17719 1 372 . 1 1 30 30 TYR HD1 H 1 7.24 0.02 . 1 . . . A 49 TYR HD1 . 17719 1 373 . 1 1 30 30 TYR HD2 H 1 7.24 0.02 . 1 . . . A 49 TYR HD2 . 17719 1 374 . 1 1 30 30 TYR HE1 H 1 6.78 0.02 . 1 . . . A 49 TYR HE1 . 17719 1 375 . 1 1 30 30 TYR HE2 H 1 6.78 0.02 . 1 . . . A 49 TYR HE2 . 17719 1 376 . 1 1 30 30 TYR C C 13 173.9 0.3 . 1 . . . A 49 TYR C . 17719 1 377 . 1 1 30 30 TYR CA C 13 57.6 0.3 . 1 . . . A 49 TYR CA . 17719 1 378 . 1 1 30 30 TYR CB C 13 38 0.3 . 1 . . . A 49 TYR CB . 17719 1 379 . 1 1 30 30 TYR CD1 C 13 134.1 0.3 . 1 . . . A 49 TYR CD1 . 17719 1 380 . 1 1 30 30 TYR CD2 C 13 134.1 0.3 . 1 . . . A 49 TYR CD2 . 17719 1 381 . 1 1 30 30 TYR CE1 C 13 117.9 0.3 . 1 . . . A 49 TYR CE1 . 17719 1 382 . 1 1 30 30 TYR CE2 C 13 117.9 0.3 . 1 . . . A 49 TYR CE2 . 17719 1 383 . 1 1 30 30 TYR N N 15 129.1 0.3 . 1 . . . A 49 TYR N . 17719 1 384 . 1 1 31 31 LEU H H 1 8.6 0.02 . 1 . . . A 50 LEU H . 17719 1 385 . 1 1 31 31 LEU HA H 1 4.56 0.02 . 1 . . . A 50 LEU HA . 17719 1 386 . 1 1 31 31 LEU HB2 H 1 1.4 0.02 . 2 . . . A 50 LEU HB2 . 17719 1 387 . 1 1 31 31 LEU HB3 H 1 1.64 0.02 . 2 . . . A 50 LEU HB3 . 17719 1 388 . 1 1 31 31 LEU HD11 H 1 0.94 0.02 . 2 . . . A 50 LEU HD11 . 17719 1 389 . 1 1 31 31 LEU HD12 H 1 0.94 0.02 . 2 . . . A 50 LEU HD12 . 17719 1 390 . 1 1 31 31 LEU HD13 H 1 0.94 0.02 . 2 . . . A 50 LEU HD13 . 17719 1 391 . 1 1 31 31 LEU HD21 H 1 1.48 0.02 . 2 . . . A 50 LEU HD21 . 17719 1 392 . 1 1 31 31 LEU HD22 H 1 1.48 0.02 . 2 . . . A 50 LEU HD22 . 17719 1 393 . 1 1 31 31 LEU HD23 H 1 1.48 0.02 . 2 . . . A 50 LEU HD23 . 17719 1 394 . 1 1 31 31 LEU C C 13 172.2 0.3 . 1 . . . A 50 LEU C . 17719 1 395 . 1 1 31 31 LEU CA C 13 52.6 0.3 . 1 . . . A 50 LEU CA . 17719 1 396 . 1 1 31 31 LEU CB C 13 42.9 0.3 . 1 . . . A 50 LEU CB . 17719 1 397 . 1 1 31 31 LEU CD1 C 13 24.7 0.3 . 2 . . . A 50 LEU CD1 . 17719 1 398 . 1 1 31 31 LEU CD2 C 13 26.8 0.3 . 2 . . . A 50 LEU CD2 . 17719 1 399 . 1 1 31 31 LEU N N 15 131.7 0.3 . 1 . . . A 50 LEU N . 17719 1 400 . 1 1 32 32 PRO HA H 1 4.44 0.02 . 1 . . . A 51 PRO HA . 17719 1 401 . 1 1 32 32 PRO HB2 H 1 1.69 0.02 . 2 . . . A 51 PRO HB2 . 17719 1 402 . 1 1 32 32 PRO HB3 H 1 1.37 0.02 . 2 . . . A 51 PRO HB3 . 17719 1 403 . 1 1 32 32 PRO HG2 H 1 1.63 0.02 . 2 . . . A 51 PRO HG2 . 17719 1 404 . 1 1 32 32 PRO HG3 H 1 1.67 0.02 . 2 . . . A 51 PRO HG3 . 17719 1 405 . 1 1 32 32 PRO HD2 H 1 1.81 0.02 . 2 . . . A 51 PRO HD2 . 17719 1 406 . 1 1 32 32 PRO HD3 H 1 3.39 0.02 . 2 . . . A 51 PRO HD3 . 17719 1 407 . 1 1 32 32 PRO C C 13 176.8 0.3 . 1 . . . A 51 PRO C . 17719 1 408 . 1 1 32 32 PRO CA C 13 62.7 0.3 . 1 . . . A 51 PRO CA . 17719 1 409 . 1 1 32 32 PRO CB C 13 32.9 0.3 . 1 . . . A 51 PRO CB . 17719 1 410 . 1 1 32 32 PRO CG C 13 27.3 0.3 . 1 . . . A 51 PRO CG . 17719 1 411 . 1 1 32 32 PRO CD C 13 49.9 0.3 . 1 . . . A 51 PRO CD . 17719 1 412 . 1 1 33 33 VAL H H 1 8.23 0.02 . 1 . . . A 52 VAL H . 17719 1 413 . 1 1 33 33 VAL HA H 1 4.72 0.02 . 1 . . . A 52 VAL HA . 17719 1 414 . 1 1 33 33 VAL HB H 1 2.14 0.02 . 1 . . . A 52 VAL HB . 17719 1 415 . 1 1 33 33 VAL HG11 H 1 1.17 0.02 . 2 . . . A 52 VAL HG11 . 17719 1 416 . 1 1 33 33 VAL HG12 H 1 1.17 0.02 . 2 . . . A 52 VAL HG12 . 17719 1 417 . 1 1 33 33 VAL HG13 H 1 1.17 0.02 . 2 . . . A 52 VAL HG13 . 17719 1 418 . 1 1 33 33 VAL HG21 H 1 0.8 0.02 . 2 . . . A 52 VAL HG21 . 17719 1 419 . 1 1 33 33 VAL HG22 H 1 0.8 0.02 . 2 . . . A 52 VAL HG22 . 17719 1 420 . 1 1 33 33 VAL HG23 H 1 0.8 0.02 . 2 . . . A 52 VAL HG23 . 17719 1 421 . 1 1 33 33 VAL C C 13 172.6 0.3 . 1 . . . A 52 VAL C . 17719 1 422 . 1 1 33 33 VAL CA C 13 59.6 0.3 . 1 . . . A 52 VAL CA . 17719 1 423 . 1 1 33 33 VAL CB C 13 35.7 0.3 . 1 . . . A 52 VAL CB . 17719 1 424 . 1 1 33 33 VAL CG1 C 13 23.1 0.3 . 2 . . . A 52 VAL CG1 . 17719 1 425 . 1 1 33 33 VAL CG2 C 13 21.2 0.3 . 2 . . . A 52 VAL CG2 . 17719 1 426 . 1 1 33 33 VAL N N 15 110.7 0.3 . 1 . . . A 52 VAL N . 17719 1 427 . 1 1 34 34 CYS H H 1 8.55 0.02 . 1 . . . A 53 CYS H . 17719 1 428 . 1 1 34 34 CYS HA H 1 5.09 0.02 . 1 . . . A 53 CYS HA . 17719 1 429 . 1 1 34 34 CYS HB2 H 1 1.17 0.02 . 2 . . . A 53 CYS HB2 . 17719 1 430 . 1 1 34 34 CYS HB3 H 1 2.34 0.02 . 2 . . . A 53 CYS HB3 . 17719 1 431 . 1 1 34 34 CYS C C 13 175.6 0.3 . 1 . . . A 53 CYS C . 17719 1 432 . 1 1 34 34 CYS CA C 13 54.5 0.3 . 1 . . . A 53 CYS CA . 17719 1 433 . 1 1 34 34 CYS CB C 13 39.3 0.3 . 1 . . . A 53 CYS CB . 17719 1 434 . 1 1 34 34 CYS N N 15 122.2 0.3 . 1 . . . A 53 CYS N . 17719 1 435 . 1 1 35 35 GLY H H 1 9.06 0.02 . 1 . . . A 54 GLY H . 17719 1 436 . 1 1 35 35 GLY HA2 H 1 4.11 0.02 . 2 . . . A 54 GLY HA2 . 17719 1 437 . 1 1 35 35 GLY HA3 H 1 4.61 0.02 . 2 . . . A 54 GLY HA3 . 17719 1 438 . 1 1 35 35 GLY C C 13 174.5 0.3 . 1 . . . A 54 GLY C . 17719 1 439 . 1 1 35 35 GLY CA C 13 44.7 0.3 . 1 . . . A 54 GLY CA . 17719 1 440 . 1 1 35 35 GLY N N 15 115.9 0.3 . 1 . . . A 54 GLY N . 17719 1 441 . 1 1 36 36 SER H H 1 9.27 0.02 . 1 . . . A 55 SER H . 17719 1 442 . 1 1 36 36 SER HA H 1 3.76 0.02 . 1 . . . A 55 SER HA . 17719 1 443 . 1 1 36 36 SER HB2 H 1 3.57 0.02 . 2 . . . A 55 SER HB2 . 17719 1 444 . 1 1 36 36 SER HB3 H 1 4.18 0.02 . 2 . . . A 55 SER HB3 . 17719 1 445 . 1 1 36 36 SER C C 13 173.3 0.3 . 1 . . . A 55 SER C . 17719 1 446 . 1 1 36 36 SER CA C 13 60.4 0.3 . 1 . . . A 55 SER CA . 17719 1 447 . 1 1 36 36 SER CB C 13 62.3 0.3 . 1 . . . A 55 SER CB . 17719 1 448 . 1 1 36 36 SER N N 15 113.4 0.3 . 1 . . . A 55 SER N . 17719 1 449 . 1 1 37 37 ASP H H 1 9.15 0.02 . 1 . . . A 56 ASP H . 17719 1 450 . 1 1 37 37 ASP HA H 1 4.34 0.02 . 1 . . . A 56 ASP HA . 17719 1 451 . 1 1 37 37 ASP HB2 H 1 2.96 0.02 . 2 . . . A 56 ASP HB2 . 17719 1 452 . 1 1 37 37 ASP HB3 H 1 2.54 0.02 . 2 . . . A 56 ASP HB3 . 17719 1 453 . 1 1 37 37 ASP C C 13 175.6 0.3 . 1 . . . A 56 ASP C . 17719 1 454 . 1 1 37 37 ASP CA C 13 53.1 0.3 . 1 . . . A 56 ASP CA . 17719 1 455 . 1 1 37 37 ASP CB C 13 39.6 0.3 . 1 . . . A 56 ASP CB . 17719 1 456 . 1 1 37 37 ASP N N 15 121.1 0.3 . 1 . . . A 56 ASP N . 17719 1 457 . 1 1 38 38 TYR H H 1 8.63 0.02 . 1 . . . A 57 TYR H . 17719 1 458 . 1 1 38 38 TYR HA H 1 4.01 0.02 . 1 . . . A 57 TYR HA . 17719 1 459 . 1 1 38 38 TYR HB2 H 1 3.25 0.02 . 2 . . . A 57 TYR HB2 . 17719 1 460 . 1 1 38 38 TYR HB3 H 1 3.07 0.02 . 2 . . . A 57 TYR HB3 . 17719 1 461 . 1 1 38 38 TYR HD1 H 1 6.98 0.02 . 1 . . . A 57 TYR HD1 . 17719 1 462 . 1 1 38 38 TYR HD2 H 1 6.98 0.02 . 1 . . . A 57 TYR HD2 . 17719 1 463 . 1 1 38 38 TYR HE1 H 1 6.8 0.02 . 1 . . . A 57 TYR HE1 . 17719 1 464 . 1 1 38 38 TYR HE2 H 1 6.8 0.02 . 1 . . . A 57 TYR HE2 . 17719 1 465 . 1 1 38 38 TYR C C 13 174.7 0.3 . 1 . . . A 57 TYR C . 17719 1 466 . 1 1 38 38 TYR CA C 13 61 0.3 . 1 . . . A 57 TYR CA . 17719 1 467 . 1 1 38 38 TYR CB C 13 34.3 0.3 . 1 . . . A 57 TYR CB . 17719 1 468 . 1 1 38 38 TYR CD1 C 13 132.8 0.3 . 1 . . . A 57 TYR CD1 . 17719 1 469 . 1 1 38 38 TYR CD2 C 13 132.8 0.3 . 1 . . . A 57 TYR CD2 . 17719 1 470 . 1 1 38 38 TYR CE1 C 13 118.1 0.3 . 1 . . . A 57 TYR CE1 . 17719 1 471 . 1 1 38 38 TYR CE2 C 13 118.1 0.3 . 1 . . . A 57 TYR CE2 . 17719 1 472 . 1 1 38 38 TYR N N 15 116.1 0.3 . 1 . . . A 57 TYR N . 17719 1 473 . 1 1 39 39 ILE H H 1 7.48 0.02 . 1 . . . A 58 ILE H . 17719 1 474 . 1 1 39 39 ILE HA H 1 4.01 0.02 . 1 . . . A 58 ILE HA . 17719 1 475 . 1 1 39 39 ILE HB H 1 1.94 0.02 . 1 . . . A 58 ILE HB . 17719 1 476 . 1 1 39 39 ILE HG12 H 1 0.96 0.02 . 2 . . . A 58 ILE HG12 . 17719 1 477 . 1 1 39 39 ILE HG13 H 1 1.28 0.02 . 2 . . . A 58 ILE HG13 . 17719 1 478 . 1 1 39 39 ILE HG21 H 1 0.06 0.02 . 1 . . . A 58 ILE HG21 . 17719 1 479 . 1 1 39 39 ILE HG22 H 1 0.06 0.02 . 1 . . . A 58 ILE HG22 . 17719 1 480 . 1 1 39 39 ILE HG23 H 1 0.06 0.02 . 1 . . . A 58 ILE HG23 . 17719 1 481 . 1 1 39 39 ILE HD11 H 1 0.72 0.02 . 1 . . . A 58 ILE HD11 . 17719 1 482 . 1 1 39 39 ILE HD12 H 1 0.72 0.02 . 1 . . . A 58 ILE HD12 . 17719 1 483 . 1 1 39 39 ILE HD13 H 1 0.72 0.02 . 1 . . . A 58 ILE HD13 . 17719 1 484 . 1 1 39 39 ILE C C 13 174.9 0.3 . 1 . . . A 58 ILE C . 17719 1 485 . 1 1 39 39 ILE CA C 13 59.3 0.3 . 1 . . . A 58 ILE CA . 17719 1 486 . 1 1 39 39 ILE CB C 13 37.6 0.3 . 1 . . . A 58 ILE CB . 17719 1 487 . 1 1 39 39 ILE CG1 C 13 27.8 0.3 . 1 . . . A 58 ILE CG1 . 17719 1 488 . 1 1 39 39 ILE CG2 C 13 15.8 0.3 . 1 . . . A 58 ILE CG2 . 17719 1 489 . 1 1 39 39 ILE CD1 C 13 11.2 0.3 . 1 . . . A 58 ILE CD1 . 17719 1 490 . 1 1 39 39 ILE N N 15 120.7 0.3 . 1 . . . A 58 ILE N . 17719 1 491 . 1 1 40 40 THR H H 1 8.09 0.02 . 1 . . . A 59 THR H . 17719 1 492 . 1 1 40 40 THR HA H 1 4.67 0.02 . 1 . . . A 59 THR HA . 17719 1 493 . 1 1 40 40 THR HB H 1 4 0.02 . 1 . . . A 59 THR HB . 17719 1 494 . 1 1 40 40 THR HG21 H 1 1.13 0.02 . 1 . . . A 59 THR HG21 . 17719 1 495 . 1 1 40 40 THR HG22 H 1 1.13 0.02 . 1 . . . A 59 THR HG22 . 17719 1 496 . 1 1 40 40 THR HG23 H 1 1.13 0.02 . 1 . . . A 59 THR HG23 . 17719 1 497 . 1 1 40 40 THR C C 13 174.8 0.3 . 1 . . . A 59 THR C . 17719 1 498 . 1 1 40 40 THR CA C 13 62.7 0.3 . 1 . . . A 59 THR CA . 17719 1 499 . 1 1 40 40 THR CB C 13 68.9 0.3 . 1 . . . A 59 THR CB . 17719 1 500 . 1 1 40 40 THR CG2 C 13 23.5 0.3 . 1 . . . A 59 THR CG2 . 17719 1 501 . 1 1 40 40 THR N N 15 123.7 0.3 . 1 . . . A 59 THR N . 17719 1 502 . 1 1 41 41 TYR H H 1 9.55 0.02 . 1 . . . A 60 TYR H . 17719 1 503 . 1 1 41 41 TYR HA H 1 4.41 0.02 . 1 . . . A 60 TYR HA . 17719 1 504 . 1 1 41 41 TYR HB2 H 1 2.64 0.02 . 2 . . . A 60 TYR HB2 . 17719 1 505 . 1 1 41 41 TYR HB3 H 1 2.87 0.02 . 2 . . . A 60 TYR HB3 . 17719 1 506 . 1 1 41 41 TYR HD1 H 1 6.92 0.02 . 1 . . . A 60 TYR HD1 . 17719 1 507 . 1 1 41 41 TYR HD2 H 1 6.92 0.02 . 1 . . . A 60 TYR HD2 . 17719 1 508 . 1 1 41 41 TYR C C 13 177.2 0.3 . 1 . . . A 60 TYR C . 17719 1 509 . 1 1 41 41 TYR CA C 13 58.2 0.3 . 1 . . . A 60 TYR CA . 17719 1 510 . 1 1 41 41 TYR CB C 13 41.8 0.3 . 1 . . . A 60 TYR CB . 17719 1 511 . 1 1 41 41 TYR CD1 C 13 132.6 0.3 . 1 . . . A 60 TYR CD1 . 17719 1 512 . 1 1 41 41 TYR CD2 C 13 132.6 0.3 . 1 . . . A 60 TYR CD2 . 17719 1 513 . 1 1 41 41 TYR N N 15 129.7 0.3 . 1 . . . A 60 TYR N . 17719 1 514 . 1 1 42 42 GLY H H 1 9.31 0.02 . 1 . . . A 61 GLY H . 17719 1 515 . 1 1 42 42 GLY HA2 H 1 3.71 0.02 . 2 . . . A 61 GLY HA2 . 17719 1 516 . 1 1 42 42 GLY HA3 H 1 4.03 0.02 . 2 . . . A 61 GLY HA3 . 17719 1 517 . 1 1 42 42 GLY C C 13 172.8 0.3 . 1 . . . A 61 GLY C . 17719 1 518 . 1 1 42 42 GLY CA C 13 47.7 0.3 . 1 . . . A 61 GLY CA . 17719 1 519 . 1 1 42 42 GLY N N 15 107.8 0.3 . 1 . . . A 61 GLY N . 17719 1 520 . 1 1 43 43 ASN H H 1 7.38 0.02 . 1 . . . A 62 ASN H . 17719 1 521 . 1 1 43 43 ASN HA H 1 4.95 0.02 . 1 . . . A 62 ASN HA . 17719 1 522 . 1 1 43 43 ASN HB2 H 1 3.63 0.02 . 2 . . . A 62 ASN HB2 . 17719 1 523 . 1 1 43 43 ASN HB3 H 1 3.13 0.02 . 2 . . . A 62 ASN HB3 . 17719 1 524 . 1 1 43 43 ASN HD21 H 1 6.19 0.02 . 2 . . . A 62 ASN HD21 . 17719 1 525 . 1 1 43 43 ASN HD22 H 1 8.05 0.02 . 2 . . . A 62 ASN HD22 . 17719 1 526 . 1 1 43 43 ASN C C 13 176.7 0.3 . 1 . . . A 62 ASN C . 17719 1 527 . 1 1 43 43 ASN CA C 13 52.5 0.3 . 1 . . . A 62 ASN CA . 17719 1 528 . 1 1 43 43 ASN CB C 13 39.9 0.3 . 1 . . . A 62 ASN CB . 17719 1 529 . 1 1 43 43 ASN N N 15 104.6 0.3 . 1 . . . A 62 ASN N . 17719 1 530 . 1 1 43 43 ASN ND2 N 15 115 0.3 . 1 . . . A 62 ASN ND2 . 17719 1 531 . 1 1 44 44 GLU H H 1 9.31 0.02 . 1 . . . A 63 GLU H . 17719 1 532 . 1 1 44 44 GLU HA H 1 3.89 0.02 . 1 . . . A 63 GLU HA . 17719 1 533 . 1 1 44 44 GLU HB2 H 1 2.1 0.02 . 2 . . . A 63 GLU HB2 . 17719 1 534 . 1 1 44 44 GLU HB3 H 1 2.18 0.02 . 2 . . . A 63 GLU HB3 . 17719 1 535 . 1 1 44 44 GLU HG2 H 1 2.24 0.02 . 2 . . . A 63 GLU HG2 . 17719 1 536 . 1 1 44 44 GLU HG3 H 1 2.33 0.02 . 2 . . . A 63 GLU HG3 . 17719 1 537 . 1 1 44 44 GLU C C 13 176.1 0.3 . 1 . . . A 63 GLU C . 17719 1 538 . 1 1 44 44 GLU CA C 13 59.7 0.3 . 1 . . . A 63 GLU CA . 17719 1 539 . 1 1 44 44 GLU CB C 13 29.8 0.3 . 1 . . . A 63 GLU CB . 17719 1 540 . 1 1 44 44 GLU CG C 13 36.5 0.3 . 1 . . . A 63 GLU CG . 17719 1 541 . 1 1 44 44 GLU N N 15 118.3 0.3 . 1 . . . A 63 GLU N . 17719 1 542 . 1 1 45 45 CYS H H 1 8.27 0.02 . 1 . . . A 64 CYS H . 17719 1 543 . 1 1 45 45 CYS HA H 1 3.37 0.02 . 1 . . . A 64 CYS HA . 17719 1 544 . 1 1 45 45 CYS HB2 H 1 2.91 0.02 . 2 . . . A 64 CYS HB2 . 17719 1 545 . 1 1 45 45 CYS HB3 H 1 2.98 0.02 . 2 . . . A 64 CYS HB3 . 17719 1 546 . 1 1 45 45 CYS C C 13 177.7 0.3 . 1 . . . A 64 CYS C . 17719 1 547 . 1 1 45 45 CYS CA C 13 60.1 0.3 . 1 . . . A 64 CYS CA . 17719 1 548 . 1 1 45 45 CYS CB C 13 35.4 0.3 . 1 . . . A 64 CYS CB . 17719 1 549 . 1 1 45 45 CYS N N 15 121.4 0.3 . 1 . . . A 64 CYS N . 17719 1 550 . 1 1 46 46 HIS H H 1 8.12 0.02 . 1 . . . A 65 HIS H . 17719 1 551 . 1 1 46 46 HIS HA H 1 4.38 0.02 . 1 . . . A 65 HIS HA . 17719 1 552 . 1 1 46 46 HIS HB2 H 1 3.31 0.02 . 2 . . . A 65 HIS HB2 . 17719 1 553 . 1 1 46 46 HIS HB3 H 1 3.66 0.02 . 2 . . . A 65 HIS HB3 . 17719 1 554 . 1 1 46 46 HIS HD2 H 1 7.12 0.02 . 1 . . . A 65 HIS HD2 . 17719 1 555 . 1 1 46 46 HIS HE1 H 1 8.53 0.02 . 1 . . . A 65 HIS HE1 . 17719 1 556 . 1 1 46 46 HIS C C 13 177.8 0.3 . 1 . . . A 65 HIS C . 17719 1 557 . 1 1 46 46 HIS CA C 13 59.7 0.3 . 1 . . . A 65 HIS CA . 17719 1 558 . 1 1 46 46 HIS CB C 13 29.5 0.3 . 1 . . . A 65 HIS CB . 17719 1 559 . 1 1 46 46 HIS CD2 C 13 120.6 0.3 . 1 . . . A 65 HIS CD2 . 17719 1 560 . 1 1 46 46 HIS CE1 C 13 138 0.3 . 1 . . . A 65 HIS CE1 . 17719 1 561 . 1 1 46 46 HIS N N 15 121 0.3 . 1 . . . A 65 HIS N . 17719 1 562 . 1 1 47 47 LEU H H 1 7.63 0.02 . 1 . . . A 66 LEU H . 17719 1 563 . 1 1 47 47 LEU HA H 1 2.85 0.02 . 1 . . . A 66 LEU HA . 17719 1 564 . 1 1 47 47 LEU HB2 H 1 1.73 0.02 . 2 . . . A 66 LEU HB2 . 17719 1 565 . 1 1 47 47 LEU HB3 H 1 1.22 0.02 . 2 . . . A 66 LEU HB3 . 17719 1 566 . 1 1 47 47 LEU HG H 1 1.15 0.02 . 1 . . . A 66 LEU HG . 17719 1 567 . 1 1 47 47 LEU HD11 H 1 0.62 0.02 . 2 . . . A 66 LEU HD11 . 17719 1 568 . 1 1 47 47 LEU HD12 H 1 0.62 0.02 . 2 . . . A 66 LEU HD12 . 17719 1 569 . 1 1 47 47 LEU HD13 H 1 0.62 0.02 . 2 . . . A 66 LEU HD13 . 17719 1 570 . 1 1 47 47 LEU HD21 H 1 0.73 0.02 . 2 . . . A 66 LEU HD21 . 17719 1 571 . 1 1 47 47 LEU HD22 H 1 0.73 0.02 . 2 . . . A 66 LEU HD22 . 17719 1 572 . 1 1 47 47 LEU HD23 H 1 0.73 0.02 . 2 . . . A 66 LEU HD23 . 17719 1 573 . 1 1 47 47 LEU C C 13 178.3 0.3 . 1 . . . A 66 LEU C . 17719 1 574 . 1 1 47 47 LEU CA C 13 58.5 0.3 . 1 . . . A 66 LEU CA . 17719 1 575 . 1 1 47 47 LEU CB C 13 40.6 0.3 . 1 . . . A 66 LEU CB . 17719 1 576 . 1 1 47 47 LEU CG C 13 27.6 0.3 . 1 . . . A 66 LEU CG . 17719 1 577 . 1 1 47 47 LEU CD1 C 13 25.6 0.3 . 2 . . . A 66 LEU CD1 . 17719 1 578 . 1 1 47 47 LEU CD2 C 13 25.4 0.3 . 2 . . . A 66 LEU CD2 . 17719 1 579 . 1 1 47 47 LEU N N 15 122.3 0.3 . 1 . . . A 66 LEU N . 17719 1 580 . 1 1 48 48 CYS H H 1 8.96 0.02 . 1 . . . A 67 CYS H . 17719 1 581 . 1 1 48 48 CYS HA H 1 4.44 0.02 . 1 . . . A 67 CYS HA . 17719 1 582 . 1 1 48 48 CYS HB2 H 1 2.65 0.02 . 2 . . . A 67 CYS HB2 . 17719 1 583 . 1 1 48 48 CYS HB3 H 1 2.52 0.02 . 2 . . . A 67 CYS HB3 . 17719 1 584 . 1 1 48 48 CYS C C 13 176.7 0.3 . 1 . . . A 67 CYS C . 17719 1 585 . 1 1 48 48 CYS CA C 13 56.2 0.3 . 1 . . . A 67 CYS CA . 17719 1 586 . 1 1 48 48 CYS CB C 13 35.1 0.3 . 1 . . . A 67 CYS CB . 17719 1 587 . 1 1 48 48 CYS N N 15 117.5 0.3 . 1 . . . A 67 CYS N . 17719 1 588 . 1 1 49 49 THR H H 1 8.33 0.02 . 1 . . . A 68 THR H . 17719 1 589 . 1 1 49 49 THR HA H 1 3.8 0.02 . 1 . . . A 68 THR HA . 17719 1 590 . 1 1 49 49 THR HB H 1 4.45 0.02 . 1 . . . A 68 THR HB . 17719 1 591 . 1 1 49 49 THR HG21 H 1 1.29 0.02 . 1 . . . A 68 THR HG21 . 17719 1 592 . 1 1 49 49 THR HG22 H 1 1.29 0.02 . 1 . . . A 68 THR HG22 . 17719 1 593 . 1 1 49 49 THR HG23 H 1 1.29 0.02 . 1 . . . A 68 THR HG23 . 17719 1 594 . 1 1 49 49 THR C C 13 175.4 0.3 . 1 . . . A 68 THR C . 17719 1 595 . 1 1 49 49 THR CA C 13 67.6 0.3 . 1 . . . A 68 THR CA . 17719 1 596 . 1 1 49 49 THR CB C 13 68.8 0.3 . 1 . . . A 68 THR CB . 17719 1 597 . 1 1 49 49 THR CG2 C 13 20.8 0.3 . 1 . . . A 68 THR CG2 . 17719 1 598 . 1 1 49 49 THR N N 15 118 0.3 . 1 . . . A 68 THR N . 17719 1 599 . 1 1 50 50 GLU H H 1 7.07 0.02 . 1 . . . A 69 GLU H . 17719 1 600 . 1 1 50 50 GLU HA H 1 4.26 0.02 . 1 . . . A 69 GLU HA . 17719 1 601 . 1 1 50 50 GLU HB2 H 1 1.82 0.02 . 2 . . . A 69 GLU HB2 . 17719 1 602 . 1 1 50 50 GLU HB3 H 1 2.06 0.02 . 2 . . . A 69 GLU HB3 . 17719 1 603 . 1 1 50 50 GLU HG2 H 1 2.24 0.02 . 2 . . . A 69 GLU HG2 . 17719 1 604 . 1 1 50 50 GLU HG3 H 1 2.96 0.02 . 2 . . . A 69 GLU HG3 . 17719 1 605 . 1 1 50 50 GLU C C 13 180 0.3 . 1 . . . A 69 GLU C . 17719 1 606 . 1 1 50 50 GLU CA C 13 58.2 0.3 . 1 . . . A 69 GLU CA . 17719 1 607 . 1 1 50 50 GLU CB C 13 28.6 0.3 . 1 . . . A 69 GLU CB . 17719 1 608 . 1 1 50 50 GLU CG C 13 34.6 0.3 . 1 . . . A 69 GLU CG . 17719 1 609 . 1 1 50 50 GLU N N 15 121.3 0.3 . 1 . . . A 69 GLU N . 17719 1 610 . 1 1 51 51 SER H H 1 9.04 0.02 . 1 . . . A 70 SER H . 17719 1 611 . 1 1 51 51 SER HA H 1 4.03 0.02 . 1 . . . A 70 SER HA . 17719 1 612 . 1 1 51 51 SER HB2 H 1 3.75 0.02 . 2 . . . A 70 SER HB2 . 17719 1 613 . 1 1 51 51 SER HB3 H 1 4.17 0.02 . 2 . . . A 70 SER HB3 . 17719 1 614 . 1 1 51 51 SER C C 13 177.8 0.3 . 1 . . . A 70 SER C . 17719 1 615 . 1 1 51 51 SER CA C 13 62.4 0.3 . 1 . . . A 70 SER CA . 17719 1 616 . 1 1 51 51 SER CB C 13 64.9 0.3 . 1 . . . A 70 SER CB . 17719 1 617 . 1 1 51 51 SER N N 15 117.1 0.3 . 1 . . . A 70 SER N . 17719 1 618 . 1 1 52 52 LEU H H 1 8.54 0.02 . 1 . . . A 71 LEU H . 17719 1 619 . 1 1 52 52 LEU HA H 1 4.2 0.02 . 1 . . . A 71 LEU HA . 17719 1 620 . 1 1 52 52 LEU HB2 H 1 1.5 0.02 . 2 . . . A 71 LEU HB2 . 17719 1 621 . 1 1 52 52 LEU HB3 H 1 1.91 0.02 . 2 . . . A 71 LEU HB3 . 17719 1 622 . 1 1 52 52 LEU HG H 1 1.88 0.02 . 1 . . . A 71 LEU HG . 17719 1 623 . 1 1 52 52 LEU HD11 H 1 0.89 0.02 . 2 . . . A 71 LEU HD11 . 17719 1 624 . 1 1 52 52 LEU HD12 H 1 0.89 0.02 . 2 . . . A 71 LEU HD12 . 17719 1 625 . 1 1 52 52 LEU HD13 H 1 0.89 0.02 . 2 . . . A 71 LEU HD13 . 17719 1 626 . 1 1 52 52 LEU HD21 H 1 0.84 0.02 . 2 . . . A 71 LEU HD21 . 17719 1 627 . 1 1 52 52 LEU HD22 H 1 0.84 0.02 . 2 . . . A 71 LEU HD22 . 17719 1 628 . 1 1 52 52 LEU HD23 H 1 0.84 0.02 . 2 . . . A 71 LEU HD23 . 17719 1 629 . 1 1 52 52 LEU C C 13 181.4 0.3 . 1 . . . A 71 LEU C . 17719 1 630 . 1 1 52 52 LEU CA C 13 57.9 0.3 . 1 . . . A 71 LEU CA . 17719 1 631 . 1 1 52 52 LEU CB C 13 41.3 0.3 . 1 . . . A 71 LEU CB . 17719 1 632 . 1 1 52 52 LEU CG C 13 27.6 0.3 . 1 . . . A 71 LEU CG . 17719 1 633 . 1 1 52 52 LEU CD1 C 13 25.6 0.3 . 2 . . . A 71 LEU CD1 . 17719 1 634 . 1 1 52 52 LEU CD2 C 13 22.7 0.3 . 2 . . . A 71 LEU CD2 . 17719 1 635 . 1 1 52 52 LEU N N 15 119.1 0.3 . 1 . . . A 71 LEU N . 17719 1 636 . 1 1 53 53 LYS H H 1 8.38 0.02 . 1 . . . A 72 LYS H . 17719 1 637 . 1 1 53 53 LYS HA H 1 4.04 0.02 . 1 . . . A 72 LYS HA . 17719 1 638 . 1 1 53 53 LYS HB2 H 1 1.91 0.02 . 1 . . . A 72 LYS HB2 . 17719 1 639 . 1 1 53 53 LYS HB3 H 1 1.91 0.02 . 1 . . . A 72 LYS HB3 . 17719 1 640 . 1 1 53 53 LYS HG2 H 1 1.44 0.02 . 2 . . . A 72 LYS HG2 . 17719 1 641 . 1 1 53 53 LYS HG3 H 1 1.66 0.02 . 2 . . . A 72 LYS HG3 . 17719 1 642 . 1 1 53 53 LYS HD2 H 1 1.67 0.02 . 1 . . . A 72 LYS HD2 . 17719 1 643 . 1 1 53 53 LYS HD3 H 1 1.67 0.02 . 1 . . . A 72 LYS HD3 . 17719 1 644 . 1 1 53 53 LYS HE2 H 1 2.9 0.02 . 1 . . . A 72 LYS HE2 . 17719 1 645 . 1 1 53 53 LYS HE3 H 1 2.9 0.02 . 1 . . . A 72 LYS HE3 . 17719 1 646 . 1 1 53 53 LYS C C 13 177.6 0.3 . 1 . . . A 72 LYS C . 17719 1 647 . 1 1 53 53 LYS CA C 13 59.8 0.3 . 1 . . . A 72 LYS CA . 17719 1 648 . 1 1 53 53 LYS CB C 13 33.1 0.3 . 1 . . . A 72 LYS CB . 17719 1 649 . 1 1 53 53 LYS CG C 13 25.8 0.3 . 1 . . . A 72 LYS CG . 17719 1 650 . 1 1 53 53 LYS CD C 13 29.7 0.3 . 1 . . . A 72 LYS CD . 17719 1 651 . 1 1 53 53 LYS CE C 13 42 0.3 . 1 . . . A 72 LYS CE . 17719 1 652 . 1 1 53 53 LYS N N 15 121.7 0.3 . 1 . . . A 72 LYS N . 17719 1 653 . 1 1 54 54 SER H H 1 8.15 0.02 . 1 . . . A 73 SER H . 17719 1 654 . 1 1 54 54 SER HA H 1 4.6 0.02 . 1 . . . A 73 SER HA . 17719 1 655 . 1 1 54 54 SER HB2 H 1 4.04 0.02 . 2 . . . A 73 SER HB2 . 17719 1 656 . 1 1 54 54 SER HB3 H 1 4.36 0.02 . 2 . . . A 73 SER HB3 . 17719 1 657 . 1 1 54 54 SER C C 13 175.3 0.3 . 1 . . . A 73 SER C . 17719 1 658 . 1 1 54 54 SER CA C 13 58.3 0.3 . 1 . . . A 73 SER CA . 17719 1 659 . 1 1 54 54 SER CB C 13 64.7 0.3 . 1 . . . A 73 SER CB . 17719 1 660 . 1 1 54 54 SER N N 15 111.3 0.3 . 1 . . . A 73 SER N . 17719 1 661 . 1 1 55 55 ASN H H 1 8.07 0.02 . 1 . . . A 74 ASN H . 17719 1 662 . 1 1 55 55 ASN HA H 1 4.51 0.02 . 1 . . . A 74 ASN HA . 17719 1 663 . 1 1 55 55 ASN HB2 H 1 2.82 0.02 . 2 . . . A 74 ASN HB2 . 17719 1 664 . 1 1 55 55 ASN HB3 H 1 3.17 0.02 . 2 . . . A 74 ASN HB3 . 17719 1 665 . 1 1 55 55 ASN HD21 H 1 6.91 0.02 . 2 . . . A 74 ASN HD21 . 17719 1 666 . 1 1 55 55 ASN HD22 H 1 7.61 0.02 . 2 . . . A 74 ASN HD22 . 17719 1 667 . 1 1 55 55 ASN C C 13 175.6 0.3 . 1 . . . A 74 ASN C . 17719 1 668 . 1 1 55 55 ASN CA C 13 54.5 0.3 . 1 . . . A 74 ASN CA . 17719 1 669 . 1 1 55 55 ASN CB C 13 37.1 0.3 . 1 . . . A 74 ASN CB . 17719 1 670 . 1 1 55 55 ASN N N 15 120 0.3 . 1 . . . A 74 ASN N . 17719 1 671 . 1 1 55 55 ASN ND2 N 15 112.5 0.3 . 1 . . . A 74 ASN ND2 . 17719 1 672 . 1 1 56 56 GLY H H 1 8.97 0.02 . 1 . . . A 75 GLY H . 17719 1 673 . 1 1 56 56 GLY HA2 H 1 3.42 0.02 . 2 . . . A 75 GLY HA2 . 17719 1 674 . 1 1 56 56 GLY HA3 H 1 4.12 0.02 . 2 . . . A 75 GLY HA3 . 17719 1 675 . 1 1 56 56 GLY C C 13 174.7 0.3 . 1 . . . A 75 GLY C . 17719 1 676 . 1 1 56 56 GLY CA C 13 45 0.3 . 1 . . . A 75 GLY CA . 17719 1 677 . 1 1 56 56 GLY N N 15 103.9 0.3 . 1 . . . A 75 GLY N . 17719 1 678 . 1 1 57 57 ARG H H 1 7.6 0.02 . 1 . . . A 76 ARG H . 17719 1 679 . 1 1 57 57 ARG HA H 1 4.04 0.02 . 1 . . . A 76 ARG HA . 17719 1 680 . 1 1 57 57 ARG HB2 H 1 1.82 0.02 . 2 . . . A 76 ARG HB2 . 17719 1 681 . 1 1 57 57 ARG HB3 H 1 1.97 0.02 . 2 . . . A 76 ARG HB3 . 17719 1 682 . 1 1 57 57 ARG HG2 H 1 1.58 0.02 . 2 . . . A 76 ARG HG2 . 17719 1 683 . 1 1 57 57 ARG HG3 H 1 1.8 0.02 . 2 . . . A 76 ARG HG3 . 17719 1 684 . 1 1 57 57 ARG HD2 H 1 3.29 0.02 . 2 . . . A 76 ARG HD2 . 17719 1 685 . 1 1 57 57 ARG HD3 H 1 3.36 0.02 . 2 . . . A 76 ARG HD3 . 17719 1 686 . 1 1 57 57 ARG HE H 1 7.37 0.02 . 1 . . . A 76 ARG HE . 17719 1 687 . 1 1 57 57 ARG C C 13 177.2 0.3 . 1 . . . A 76 ARG C . 17719 1 688 . 1 1 57 57 ARG CA C 13 59.2 0.3 . 1 . . . A 76 ARG CA . 17719 1 689 . 1 1 57 57 ARG CB C 13 30.4 0.3 . 1 . . . A 76 ARG CB . 17719 1 690 . 1 1 57 57 ARG CG C 13 27.4 0.3 . 1 . . . A 76 ARG CG . 17719 1 691 . 1 1 57 57 ARG CD C 13 43.1 0.3 . 1 . . . A 76 ARG CD . 17719 1 692 . 1 1 57 57 ARG N N 15 122.2 0.3 . 1 . . . A 76 ARG N . 17719 1 693 . 1 1 57 57 ARG NE N 15 83.1 0.3 . 1 . . . A 76 ARG NE . 17719 1 694 . 1 1 58 58 VAL H H 1 7.34 0.02 . 1 . . . A 77 VAL H . 17719 1 695 . 1 1 58 58 VAL HA H 1 3.71 0.02 . 1 . . . A 77 VAL HA . 17719 1 696 . 1 1 58 58 VAL HB H 1 1.42 0.02 . 1 . . . A 77 VAL HB . 17719 1 697 . 1 1 58 58 VAL HG11 H 1 0.96 0.02 . 2 . . . A 77 VAL HG11 . 17719 1 698 . 1 1 58 58 VAL HG12 H 1 0.96 0.02 . 2 . . . A 77 VAL HG12 . 17719 1 699 . 1 1 58 58 VAL HG13 H 1 0.96 0.02 . 2 . . . A 77 VAL HG13 . 17719 1 700 . 1 1 58 58 VAL HG21 H 1 0.74 0.02 . 2 . . . A 77 VAL HG21 . 17719 1 701 . 1 1 58 58 VAL HG22 H 1 0.74 0.02 . 2 . . . A 77 VAL HG22 . 17719 1 702 . 1 1 58 58 VAL HG23 H 1 0.74 0.02 . 2 . . . A 77 VAL HG23 . 17719 1 703 . 1 1 58 58 VAL C C 13 174.5 0.3 . 1 . . . A 77 VAL C . 17719 1 704 . 1 1 58 58 VAL CA C 13 63.2 0.3 . 1 . . . A 77 VAL CA . 17719 1 705 . 1 1 58 58 VAL CB C 13 32.8 0.3 . 1 . . . A 77 VAL CB . 17719 1 706 . 1 1 58 58 VAL CG1 C 13 21.8 0.3 . 2 . . . A 77 VAL CG1 . 17719 1 707 . 1 1 58 58 VAL CG2 C 13 20.7 0.3 . 2 . . . A 77 VAL CG2 . 17719 1 708 . 1 1 58 58 VAL N N 15 117 0.3 . 1 . . . A 77 VAL N . 17719 1 709 . 1 1 59 59 GLN H H 1 8.51 0.02 . 1 . . . A 78 GLN H . 17719 1 710 . 1 1 59 59 GLN HA H 1 4.48 0.02 . 1 . . . A 78 GLN HA . 17719 1 711 . 1 1 59 59 GLN HB2 H 1 2.19 0.02 . 2 . . . A 78 GLN HB2 . 17719 1 712 . 1 1 59 59 GLN HB3 H 1 2.38 0.02 . 2 . . . A 78 GLN HB3 . 17719 1 713 . 1 1 59 59 GLN HG2 H 1 2.33 0.02 . 1 . . . A 78 GLN HG2 . 17719 1 714 . 1 1 59 59 GLN HG3 H 1 2.33 0.02 . 1 . . . A 78 GLN HG3 . 17719 1 715 . 1 1 59 59 GLN HE21 H 1 6.89 0.02 . 1 . . . A 78 GLN HE21 . 17719 1 716 . 1 1 59 59 GLN HE22 H 1 7.77 0.02 . 1 . . . A 78 GLN HE22 . 17719 1 717 . 1 1 59 59 GLN C C 13 174.9 0.3 . 1 . . . A 78 GLN C . 17719 1 718 . 1 1 59 59 GLN CA C 13 52.8 0.3 . 1 . . . A 78 GLN CA . 17719 1 719 . 1 1 59 59 GLN CB C 13 32.6 0.3 . 1 . . . A 78 GLN CB . 17719 1 720 . 1 1 59 59 GLN CG C 13 32.7 0.3 . 1 . . . A 78 GLN CG . 17719 1 721 . 1 1 59 59 GLN N N 15 125 0.3 . 1 . . . A 78 GLN N . 17719 1 722 . 1 1 59 59 GLN NE2 N 15 112.9 0.3 . 1 . . . A 78 GLN NE2 . 17719 1 723 . 1 1 60 60 PHE H H 1 9.05 0.02 . 1 . . . A 79 PHE H . 17719 1 724 . 1 1 60 60 PHE HA H 1 3.95 0.02 . 1 . . . A 79 PHE HA . 17719 1 725 . 1 1 60 60 PHE HB2 H 1 2.84 0.02 . 2 . . . A 79 PHE HB2 . 17719 1 726 . 1 1 60 60 PHE HB3 H 1 3.06 0.02 . 2 . . . A 79 PHE HB3 . 17719 1 727 . 1 1 60 60 PHE HD1 H 1 6.93 0.02 . 1 . . . A 79 PHE HD1 . 17719 1 728 . 1 1 60 60 PHE HD2 H 1 6.93 0.02 . 1 . . . A 79 PHE HD2 . 17719 1 729 . 1 1 60 60 PHE HE1 H 1 7.23 0.02 . 1 . . . A 79 PHE HE1 . 17719 1 730 . 1 1 60 60 PHE HE2 H 1 7.23 0.02 . 1 . . . A 79 PHE HE2 . 17719 1 731 . 1 1 60 60 PHE HZ H 1 7.32 0.02 . 1 . . . A 79 PHE HZ . 17719 1 732 . 1 1 60 60 PHE C C 13 173.9 0.3 . 1 . . . A 79 PHE C . 17719 1 733 . 1 1 60 60 PHE CA C 13 60.3 0.3 . 1 . . . A 79 PHE CA . 17719 1 734 . 1 1 60 60 PHE CB C 13 39.9 0.3 . 1 . . . A 79 PHE CB . 17719 1 735 . 1 1 60 60 PHE CD1 C 13 131.4 0.3 . 1 . . . A 79 PHE CD1 . 17719 1 736 . 1 1 60 60 PHE CD2 C 13 131.4 0.3 . 1 . . . A 79 PHE CD2 . 17719 1 737 . 1 1 60 60 PHE CE1 C 13 131.6 0.3 . 1 . . . A 79 PHE CE1 . 17719 1 738 . 1 1 60 60 PHE CE2 C 13 131.6 0.3 . 1 . . . A 79 PHE CE2 . 17719 1 739 . 1 1 60 60 PHE CZ C 13 131.6 0.3 . 1 . . . A 79 PHE CZ . 17719 1 740 . 1 1 60 60 PHE N N 15 121.4 0.3 . 1 . . . A 79 PHE N . 17719 1 741 . 1 1 61 61 LEU H H 1 8.27 0.02 . 1 . . . A 80 LEU H . 17719 1 742 . 1 1 61 61 LEU HA H 1 4.52 0.02 . 1 . . . A 80 LEU HA . 17719 1 743 . 1 1 61 61 LEU HB2 H 1 0.54 0.02 . 2 . . . A 80 LEU HB2 . 17719 1 744 . 1 1 61 61 LEU HB3 H 1 1.27 0.02 . 2 . . . A 80 LEU HB3 . 17719 1 745 . 1 1 61 61 LEU HG H 1 1.21 0.02 . 1 . . . A 80 LEU HG . 17719 1 746 . 1 1 61 61 LEU HD11 H 1 0.66 0.02 . 2 . . . A 80 LEU HD11 . 17719 1 747 . 1 1 61 61 LEU HD12 H 1 0.66 0.02 . 2 . . . A 80 LEU HD12 . 17719 1 748 . 1 1 61 61 LEU HD13 H 1 0.66 0.02 . 2 . . . A 80 LEU HD13 . 17719 1 749 . 1 1 61 61 LEU HD21 H 1 0.84 0.02 . 2 . . . A 80 LEU HD21 . 17719 1 750 . 1 1 61 61 LEU HD22 H 1 0.84 0.02 . 2 . . . A 80 LEU HD22 . 17719 1 751 . 1 1 61 61 LEU HD23 H 1 0.84 0.02 . 2 . . . A 80 LEU HD23 . 17719 1 752 . 1 1 61 61 LEU C C 13 175.7 0.3 . 1 . . . A 80 LEU C . 17719 1 753 . 1 1 61 61 LEU CA C 13 56 0.3 . 1 . . . A 80 LEU CA . 17719 1 754 . 1 1 61 61 LEU CB C 13 44.4 0.3 . 1 . . . A 80 LEU CB . 17719 1 755 . 1 1 61 61 LEU CG C 13 27 0.3 . 1 . . . A 80 LEU CG . 17719 1 756 . 1 1 61 61 LEU CD1 C 13 25.9 0.3 . 2 . . . A 80 LEU CD1 . 17719 1 757 . 1 1 61 61 LEU CD2 C 13 23.5 0.3 . 2 . . . A 80 LEU CD2 . 17719 1 758 . 1 1 61 61 LEU N N 15 128.9 0.3 . 1 . . . A 80 LEU N . 17719 1 759 . 1 1 62 62 HIS H H 1 6.86 0.02 . 1 . . . A 81 HIS H . 17719 1 760 . 1 1 62 62 HIS HA H 1 4.37 0.02 . 1 . . . A 81 HIS HA . 17719 1 761 . 1 1 62 62 HIS HB2 H 1 3.2 0.02 . 2 . . . A 81 HIS HB2 . 17719 1 762 . 1 1 62 62 HIS HB3 H 1 3.42 0.02 . 2 . . . A 81 HIS HB3 . 17719 1 763 . 1 1 62 62 HIS HD2 H 1 7.07 0.02 . 1 . . . A 81 HIS HD2 . 17719 1 764 . 1 1 62 62 HIS HE1 H 1 8.77 0.02 . 1 . . . A 81 HIS HE1 . 17719 1 765 . 1 1 62 62 HIS C C 13 172 0.3 . 1 . . . A 81 HIS C . 17719 1 766 . 1 1 62 62 HIS CA C 13 55.1 0.3 . 1 . . . A 81 HIS CA . 17719 1 767 . 1 1 62 62 HIS CB C 13 29.7 0.3 . 1 . . . A 81 HIS CB . 17719 1 768 . 1 1 62 62 HIS CD2 C 13 121.1 0.3 . 1 . . . A 81 HIS CD2 . 17719 1 769 . 1 1 62 62 HIS CE1 C 13 137.4 0.3 . 1 . . . A 81 HIS CE1 . 17719 1 770 . 1 1 62 62 HIS N N 15 107.5 0.3 . 1 . . . A 81 HIS N . 17719 1 771 . 1 1 63 63 ASP H H 1 9.33 0.02 . 1 . . . A 82 ASP H . 17719 1 772 . 1 1 63 63 ASP HA H 1 4.9 0.02 . 1 . . . A 82 ASP HA . 17719 1 773 . 1 1 63 63 ASP HB2 H 1 2.81 0.02 . 2 . . . A 82 ASP HB2 . 17719 1 774 . 1 1 63 63 ASP HB3 H 1 2.85 0.02 . 2 . . . A 82 ASP HB3 . 17719 1 775 . 1 1 63 63 ASP C C 13 178.5 0.3 . 1 . . . A 82 ASP C . 17719 1 776 . 1 1 63 63 ASP CA C 13 55.6 0.3 . 1 . . . A 82 ASP CA . 17719 1 777 . 1 1 63 63 ASP CB C 13 42.4 0.3 . 1 . . . A 82 ASP CB . 17719 1 778 . 1 1 63 63 ASP N N 15 120.9 0.3 . 1 . . . A 82 ASP N . 17719 1 779 . 1 1 64 64 GLY H H 1 8.33 0.02 . 1 . . . A 83 GLY H . 17719 1 780 . 1 1 64 64 GLY HA2 H 1 3.62 0.02 . 2 . . . A 83 GLY HA2 . 17719 1 781 . 1 1 64 64 GLY HA3 H 1 4.38 0.02 . 2 . . . A 83 GLY HA3 . 17719 1 782 . 1 1 64 64 GLY C C 13 170.4 0.3 . 1 . . . A 83 GLY C . 17719 1 783 . 1 1 64 64 GLY CA C 13 44.9 0.3 . 1 . . . A 83 GLY CA . 17719 1 784 . 1 1 64 64 GLY N N 15 114.5 0.3 . 1 . . . A 83 GLY N . 17719 1 785 . 1 1 65 65 SER H H 1 7.87 0.02 . 1 . . . A 84 SER H . 17719 1 786 . 1 1 65 65 SER HA H 1 4.14 0.02 . 1 . . . A 84 SER HA . 17719 1 787 . 1 1 65 65 SER HB2 H 1 3.8 0.02 . 2 . . . A 84 SER HB2 . 17719 1 788 . 1 1 65 65 SER HB3 H 1 3.9 0.02 . 2 . . . A 84 SER HB3 . 17719 1 789 . 1 1 65 65 SER C C 13 176.4 0.3 . 1 . . . A 84 SER C . 17719 1 790 . 1 1 65 65 SER CA C 13 58.3 0.3 . 1 . . . A 84 SER CA . 17719 1 791 . 1 1 65 65 SER CB C 13 63.9 0.3 . 1 . . . A 84 SER CB . 17719 1 792 . 1 1 65 65 SER N N 15 107.4 0.3 . 1 . . . A 84 SER N . 17719 1 793 . 1 1 66 66 CYS H H 1 8.42 0.02 . 1 . . . A 85 CYS H . 17719 1 794 . 1 1 66 66 CYS HA H 1 4.32 0.02 . 1 . . . A 85 CYS HA . 17719 1 795 . 1 1 66 66 CYS HB2 H 1 2.58 0.02 . 2 . . . A 85 CYS HB2 . 17719 1 796 . 1 1 66 66 CYS HB3 H 1 3.12 0.02 . 2 . . . A 85 CYS HB3 . 17719 1 797 . 1 1 66 66 CYS CA C 13 56.2 0.3 . 1 . . . A 85 CYS CA . 17719 1 798 . 1 1 66 66 CYS CB C 13 38.9 0.3 . 1 . . . A 85 CYS CB . 17719 1 799 . 1 1 66 66 CYS N N 15 125.4 0.3 . 1 . . . A 85 CYS N . 17719 1 stop_ save_